# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p212121
_database_code_depnum_ccdc_archive 'CCDC 1583574'
_audit_update_record             
;
2017-11-02 deposited with the CCDC.
2018-01-08 downloaded from the CCDC.
;

_audit_creation_date             2008-02-13T12:27:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Bi O14 P4, 3(Cs), Sr'
_chemical_formula_sum            'Bi Cs3 O14 P4 Sr'
_chemical_formula_weight         1043.21
_chemical_absolute_configuration ad

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.3978(3)
_cell_length_b                   9.6284(3)
_cell_length_c                   17.6552(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1597.54(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16958
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      32.00

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    4.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1832
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    21.542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.2357
_exptl_absorpt_correction_T_max  0.4634

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'fine focus sealed tube'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  XCalibur-3
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_number            16958
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         32
_diffrn_reflns_theta_full        32
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_reflns_number_total             5498
_reflns_number_gt                4816
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction Ltd., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0197P)²+5.4401P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   undef
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.00020(3)
_refine_ls_number_reflns         5498
_refine_ls_number_parameters     209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.041
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0571
_refine_ls_wR_factor_gt          0.0524
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.034(4)
_refine_diff_density_max         1.811
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.268

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.368 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.11406(5) 0.49088(5) 0.49919(2) 0.01854(10) Uani 1 1 d . . .
Cs2 Cs 0.26460(5) 0.14586(6) 0.33554(3) 0.02746(11) Uani 1 1 d . . .
Cs3 Cs 0.10135(6) 0.00063(6) 0.57290(3) 0.03275(13) Uani 1 1 d . . .
Bi1 Bi 0.73077(2) 0.14783(3) 0.254473(13) 0.01103(5) Uani 1 1 d . . .
Sr1 Sr 0.06838(6) 0.31685(6) 0.13283(3) 0.00851(11) Uani 1 1 d . . .
P1 P 0.97857(19) 0.42420(18) 0.30136(9) 0.0109(3) Uani 1 1 d . . .
P2 P 0.87863(19) 0.21125(19) 0.41534(9) 0.0118(3) Uani 1 1 d . . .
P3 P 0.46603(17) 0.3570(2) 0.18494(9) 0.0119(3) Uani 1 1 d . . .
P4 P 0.68618(19) 0.2688(2) 0.07489(10) 0.0142(4) Uani 1 1 d . . .
O1 O 0.8752(5) 0.3613(5) 0.2444(2) 0.0167(9) Uani 1 1 d . . .
O2 O 1.1288(5) 0.4176(5) 0.2692(3) 0.0178(10) Uani 1 1 d . . .
O3 O 0.9385(7) 0.5661(6) 0.3309(3) 0.0266(12) Uani 1 1 d . . .
O4 O 0.7313(6) 0.2307(6) 0.3781(3) 0.0236(11) Uani 1 1 d . . .
O5 O 0.9362(7) 0.0708(6) 0.3952(4) 0.0429(18) Uani 1 1 d . . .
O6 O 0.8784(7) 0.2477(7) 0.4969(3) 0.0377(16) Uani 1 1 d . . .
O7 O 0.9859(5) 0.3218(5) 0.3736(3) 0.0185(11) Uani 1 1 d . . .
O8 O 0.5387(5) 0.2804(6) 0.2492(3) 0.0241(11) Uani 1 1 d . . .
O9 O 0.4432(7) 0.5067(6) 0.2098(4) 0.0352(15) Uani 1 1 d . . .
O10 O 0.3374(6) 0.2900(7) 0.1527(3) 0.0304(14) Uani 1 1 d . . .
O11 O 0.6207(6) 0.2422(6) -0.0009(3) 0.0284(13) Uani 1 1 d . . .
O12 O 0.8282(5) 0.3378(7) 0.0737(3) 0.0302(14) Uani 1 1 d . . .
O13 O 0.6829(6) 0.1377(6) 0.1238(3) 0.0276(12) Uani 1 1 d . . .
O14 O 0.5828(5) 0.3789(5) 0.1197(3) 0.0169(10) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O7 3.003(5) 1_455 ?
Cs1 O14 3.086(5) 2_565 ?
Cs1 O13 3.218(5) 3_655 ?
Cs1 O6 3.223(6) 1_455 ?
Cs1 O4 3.234(5) 4_456 ?
Cs1 O6 3.385(6) 4_456 ?
Cs1 O11 3.387(6) 2_565 ?
Cs1 O10 3.465(6) 2_565 ?
Cs1 O11 3.474(6) 3_655 ?
Cs1 O3 3.475(6) 1_455 ?
Cs1 P2 3.4996(18) 4_456 ?
Cs1 P4 3.5206(19) 3_655 ?
Cs2 O14 3.047(5) 3_645 ?
Cs2 O2 3.138(5) 1_455 ?
Cs2 O9 3.158(6) 3_645 ?
Cs2 O7 3.191(5) 1_455 ?
Cs2 O8 3.262(5) . ?
Cs2 O6 3.309(6) 4_456 ?
Cs2 O5 3.340(7) 1_455 ?
Cs2 O1 3.350(5) 3_645 ?
Cs2 O12 3.482(6) 3_645 ?
Cs2 O10 3.579(6) . ?
Cs2 O3 3.587(6) 3_645 ?
Cs2 P3 3.778(2) 3_645 ?
Cs3 O4 2.989(6) 4_456 ?
Cs3 O12 3.097(6) 3_645 ?
Cs3 O13 3.118(6) 2 ?
Cs3 O10 3.185(6) 2 ?
Cs3 O11 3.394(6) 2 ?
Cs3 O6 3.443(7) 1_455 ?
Cs3 O5 3.564(8) 1_455 ?
Cs3 O3 3.652(6) 4_456 ?
Cs3 P4 3.746(2) 2 ?
Cs3 O6 3.764(7) 4_456 ?
Cs3 P2 3.8118(19) 4_456 ?
Cs3 P4 3.972(2) 3_645 ?
Bi1 O8 2.212(5) . ?
Bi1 O9 2.218(6) 3_645 ?
Bi1 O4 2.324(5) . ?
Bi1 O13 2.352(5) . ?
Bi1 O1 2.470(5) . ?
Bi1 O2 2.614(5) 3_745 ?
Bi1 Sr1 4.1625(6) 1_655 ?
Bi1 Sr1 4.2044(6) 3_645 ?
Bi1 Cs1 4.6799(5) 4_556 ?
Bi1 Cs3 4.6970(6) 2_554 ?
Bi1 Cs3 4.7144(6) 4_556 ?
Sr1 O11 2.447(5) 4_455 ?
Sr1 O5 2.495(6) 3_655 ?
Sr1 O12 2.495(5) 1_455 ?
Sr1 O3 2.499(5) 3_645 ?
Sr1 O10 2.566(6) . ?
Sr1 O2 2.657(5) 1_455 ?
Sr1 O1 2.712(5) 1_455 ?
Sr1 P1 3.2610(18) 1_455 ?
Sr1 Bi1 4.1625(6) 1_455 ?
Sr1 Bi1 4.2044(6) 3_655 ?
Sr1 Cs1 4.2310(7) 2_564 ?
Sr1 Cs1 4.2688(7) 3_545 ?
P1 O3 1.510(5) . ?
P1 O2 1.523(5) . ?
P1 O1 1.524(5) . ?
P1 O7 1.614(5) . ?
P1 Sr1 3.2610(18) 1_655 ?
P1 Cs1 3.7726(18) 1_655 ?
P1 Cs2 3.8435(18) 1_655 ?
P1 Cs2 3.9522(18) 3_655 ?
P1 Cs3 4.2449(18) 4_556 ?
P2 O6 1.482(6) . ?
P2 O5 1.499(6) . ?
P2 O4 1.544(6) . ?
P2 O7 1.641(5) . ?
P2 Cs1 3.4996(18) 4_556 ?
P2 Cs1 3.7862(18) 1_655 ?
P2 Cs3 3.8118(19) 4_556 ?
P2 Cs2 3.9419(18) 1_655 ?
P2 Cs3 4.0288(19) 1_655 ?
P3 O10 1.483(5) . ?
P3 O8 1.515(5) . ?
P3 O9 1.522(6) . ?
P3 O14 1.605(5) . ?
P3 Cs1 3.6697(17) 2_564 ?
P3 Cs2 3.778(2) 3_655 ?
P3 Cs3 4.021(2) 2_554 ?
P4 O12 1.491(6) . ?
P4 O11 1.495(5) . ?
P4 O13 1.530(6) . ?
P4 O14 1.641(5) . ?
P4 Cs1 3.5206(19) 3_645 ?
P4 Cs3 3.746(2) 2_554 ?
P4 Cs1 3.8861(18) 2_564 ?
P4 Cs3 3.972(2) 3_655 ?
P4 Cs2 3.987(2) 3_655 ?
O1 Sr1 2.712(5) 1_655 ?
O1 Cs2 3.350(5) 3_655 ?
O2 Bi1 2.614(5) 3_755 ?
O2 Sr1 2.657(5) 1_655 ?
O2 Cs2 3.138(5) 1_655 ?
O3 Sr1 2.499(5) 3_655 ?
O3 Cs1 3.475(6) 1_655 ?
O3 Cs2 3.587(6) 3_655 ?
O3 Cs3 3.652(6) 4_556 ?
O4 Cs3 2.989(5) 4_556 ?
O4 Cs1 3.234(5) 4_556 ?
O5 Sr1 2.495(6) 3_645 ?
O5 Cs2 3.340(7) 1_655 ?
O5 Cs3 3.564(8) 1_655 ?
O5 Cs1 3.605(7) 4_556 ?
O6 Cs1 3.223(6) 1_655 ?
O6 Cs2 3.309(6) 4_556 ?
O6 Cs1 3.385(6) 4_556 ?
O6 Cs3 3.443(7) 1_655 ?
O6 Cs3 3.764(7) 4_556 ?
O7 Cs1 3.003(5) 1_655 ?
O7 Cs2 3.191(5) 1_655 ?
O9 Bi1 2.218(6) 3_655 ?
O9 Cs2 3.158(6) 3_655 ?
O9 Cs1 3.756(7) 2_564 ?
O10 Cs3 3.185(6) 2_554 ?
O10 Cs1 3.465(6) 2_564 ?
O11 Sr1 2.447(5) 4 ?
O11 Cs1 3.387(6) 2_564 ?
O11 Cs3 3.394(6) 2_554 ?
O11 Cs1 3.474(6) 3_645 ?
O12 Sr1 2.495(5) 1_655 ?
O12 Cs3 3.097(6) 3_655 ?
O12 Cs2 3.482(6) 3_655 ?
O12 Cs1 3.620(7) 3_645 ?
O13 Cs3 3.118(6) 2_554 ?
O13 Cs1 3.218(5) 3_645 ?
O14 Cs2 3.047(5) 3_655 ?
O14 Cs1 3.086(5) 2_564 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Cs1 O14 119.27(13) 1_455 2_565 ?
O7 Cs1 O13 88.72(13) 1_455 3_655 ?
O14 Cs1 O13 129.97(14) 2_565 3_655 ?
O7 Cs1 O6 47.26(13) 1_455 1_455 ?
O14 Cs1 O6 83.79(15) 2_565 1_455 ?
O13 Cs1 O6 135.89(13) 3_655 1_455 ?
O7 Cs1 O4 105.88(13) 1_455 4_456 ?
O14 Cs1 O4 90.60(13) 2_565 4_456 ?
O13 Cs1 O4 122.68(15) 3_655 4_456 ?
O6 Cs1 O4 76.31(15) 1_455 4_456 ?
O7 Cs1 O6 86.64(15) 1_455 4_456 ?
O14 Cs1 O6 134.57(12) 2_565 4_456 ?
O13 Cs1 O6 82.92(16) 3_655 4_456 ?
O6 Cs1 O6 90.661(15) 1_455 4_456 ?
O4 Cs1 O6 44.63(13) 4_456 4_456 ?
O7 Cs1 O11 98.61(14) 1_455 2_565 ?
O14 Cs1 O11 45.70(13) 2_565 2_565 ?
O13 Cs1 O11 93.00(14) 3_655 2_565 ?
O6 Cs1 O11 95.95(16) 1_455 2_565 ?
O4 Cs1 O11 136.30(13) 4_456 2_565 ?
O6 Cs1 O11 173.31(16) 4_456 2_565 ?
O7 Cs1 O10 163.84(14) 1_455 2_565 ?
O14 Cs1 O10 44.94(12) 2_565 2_565 ?
O13 Cs1 O10 100.51(13) 3_655 2_565 ?
O6 Cs1 O10 122.86(13) 1_455 2_565 ?
O4 Cs1 O10 80.38(14) 4_456 2_565 ?
O6 Cs1 O10 107.50(14) 4_456 2_565 ?
O11 Cs1 O10 67.93(14) 2_565 2_565 ?
O7 Cs1 O11 132.21(13) 1_455 3_655 ?
O14 Cs1 O11 98.11(13) 2_565 3_655 ?
O13 Cs1 O11 43.49(13) 3_655 3_655 ?
O6 Cs1 O11 177.55(16) 1_455 3_655 ?
O4 Cs1 O11 102.07(13) 4_456 3_655 ?
O6 Cs1 O11 86.90(16) 4_456 3_655 ?
O11 Cs1 O11 86.494(15) 2_565 3_655 ?
O10 Cs1 O11 58.30(13) 2_565 3_655 ?
O7 Cs1 O3 44.86(13) 1_455 1_455 ?
O14 Cs1 O3 102.73(12) 2_565 1_455 ?
O13 Cs1 O3 67.22(14) 3_655 1_455 ?
O6 Cs1 O3 79.30(15) 1_455 1_455 ?
O4 Cs1 O3 150.69(13) 4_456 1_455 ?
O6 Cs1 O3 120.49(13) 4_456 1_455 ?
O11 Cs1 O3 62.11(13) 2_565 1_455 ?
O10 Cs1 O3 127.20(13) 2_565 1_455 ?
O11 Cs1 O3 101.72(13) 3_655 1_455 ?
O7 Cs1 P2 107.57(10) 1_455 4_456 ?
O14 Cs1 P2 110.77(9) 2_565 4_456 ?
O13 Cs1 P2 96.55(11) 3_655 4_456 ?
O6 Cs1 P2 95.14(13) 1_455 4_456 ?
O4 Cs1 P2 26.13(10) 4_456 4_456 ?
O6 Cs1 P2 24.79(10) 4_456 4_456 ?
O11 Cs1 P2 152.26(10) 2_565 4_456 ?
O10 Cs1 P2 84.71(10) 2_565 4_456 ?
O11 Cs1 P2 82.75(10) 3_655 4_456 ?
O3 Cs1 P2 145.27(9) 1_455 4_456 ?
O7 Cs1 P4 110.58(9) 1_455 3_655 ?
O14 Cs1 P4 105.49(10) 2_565 3_655 ?
O13 Cs1 P4 25.74(10) 3_655 3_655 ?
O6 Cs1 P4 156.04(10) 1_455 3_655 ?
O4 Cs1 P4 124.65(10) 4_456 3_655 ?
O6 Cs1 P4 97.59(13) 4_456 3_655 ?
O11 Cs1 P4 76.73(10) 2_565 3_655 ?
O10 Cs1 P4 75.98(9) 2_565 3_655 ?
O11 Cs1 P4 24.68(9) 3_655 3_655 ?
O3 Cs1 P4 77.12(11) 1_455 3_655 ?
P2 Cs1 P4 101.77(4) 4_456 3_655 ?
O14 Cs2 O2 172.50(12) 3_645 1_455 ?
O14 Cs2 O9 45.48(13) 3_645 3_645 ?
O2 Cs2 O9 127.79(14) 1_455 3_645 ?
O14 Cs2 O7 141.21(12) 3_645 1_455 ?
O2 Cs2 O7 45.74(12) 1_455 1_455 ?
O9 Cs2 O7 172.84(13) 3_645 1_455 ?
O14 Cs2 O8 94.85(12) 3_645 . ?
O2 Cs2 O8 79.37(13) 1_455 . ?
O9 Cs2 O8 50.46(14) 3_645 . ?
O7 Cs2 O8 122.40(12) 1_455 . ?
O14 Cs2 O6 82.94(15) 3_645 4_456 ?
O2 Cs2 O6 101.95(15) 1_455 4_456 ?
O9 Cs2 O6 94.40(17) 3_645 4_456 ?
O7 Cs2 O6 84.99(14) 1_455 4_456 ?
O8 Cs2 O6 92.28(15) . 4_456 ?
O14 Cs2 O5 99.82(13) 3_645 1_455 ?
O2 Cs2 O5 85.55(14) 1_455 1_455 ?
O9 Cs2 O5 142.32(14) 3_645 1_455 ?
O7 Cs2 O5 44.77(13) 1_455 1_455 ?
O8 Cs2 O5 164.39(15) . 1_455 ?
O6 Cs2 O5 94.79(17) 4_456 1_455 ?
O14 Cs2 O1 66.68(12) 3_645 3_645 ?
O2 Cs2 O1 111.42(11) 1_455 3_645 ?
O9 Cs2 O1 83.54(14) 3_645 3_645 ?
O7 Cs2 O1 101.59(12) 1_455 3_645 ?
O8 Cs2 O1 115.95(13) . 3_645 ?
O6 Cs2 O1 139.17(15) 4_456 3_645 ?
O5 Cs2 O1 66.02(14) 1_455 3_645 ?
O14 Cs2 O12 43.96(12) 3_645 3_645 ?
O2 Cs2 O12 141.27(12) 1_455 3_645 ?
O9 Cs2 O12 88.46(13) 3_645 3_645 ?
O7 Cs2 O12 98.61(12) 1_455 3_645 ?
O8 Cs2 O12 138.70(13) . 3_645 ?
O6 Cs2 O12 86.17(16) 4_456 3_645 ?
O5 Cs2 O12 55.88(14) 1_455 3_645 ?
O1 Cs2 O12 53.07(12) 3_645 3_645 ?
O14 Cs2 O10 118.09(13) 3_645 . ?
O2 Cs2 O10 54.41(13) 1_455 . ?
O9 Cs2 O10 76.69(15) 3_645 . ?
O7 Cs2 O10 98.11(13) 1_455 . ?
O8 Cs2 O10 43.40(12) . . ?
O6 Cs2 O10 128.64(15) 4_456 . ?
O5 Cs2 O10 123.03(15) 1_455 . ?
O1 Cs2 O10 90.70(12) 3_645 . ?
O12 Cs2 O10 142.48(14) 3_645 . ?
O14 Cs2 O3 106.39(13) 3_645 3_645 ?
O2 Cs2 O3 69.91(13) 1_455 3_645 ?
O9 Cs2 O3 99.46(16) 3_645 3_645 ?
O7 Cs2 O3 81.34(13) 1_455 3_645 ?
O8 Cs2 O3 97.03(13) . 3_645 ?
O6 Cs2 O3 166.12(15) 4_456 3_645 ?
O5 Cs2 O3 73.76(16) 1_455 3_645 ?
O1 Cs2 O3 43.20(12) 3_645 3_645 ?
O12 Cs2 O3 93.51(12) 3_645 3_645 ?
O10 Cs2 O3 56.37(12) . 3_645 ?
O14 Cs2 P3 24.31(9) 3_645 3_645 ?
O2 Cs2 P3 148.28(9) 1_455 3_645 ?
O9 Cs2 P3 23.21(10) 3_645 3_645 ?
O7 Cs2 P3 163.94(9) 1_455 3_645 ?
O8 Cs2 P3 73.65(10) . 3_645 ?
O6 Cs2 P3 95.56(11) 4_456 3_645 ?
O5 Cs2 P3 119.34(11) 1_455 3_645 ?
O1 Cs2 P3 67.70(8) 3_645 3_645 ?
O12 Cs2 P3 65.47(9) 3_645 3_645 ?
O10 Cs2 P3 94.07(10) . 3_645 ?
O3 Cs2 P3 96.92(10) 3_645 3_645 ?
O4 Cs3 O12 126.35(15) 4_456 3_645 ?
O4 Cs3 O13 129.54(14) 4_456 2 ?
O12 Cs3 O13 101.99(14) 3_645 2 ?
O4 Cs3 O10 123.95(14) 4_456 2 ?
O12 Cs3 O10 83.48(16) 3_645 2 ?
O13 Cs3 O10 69.62(14) 2 2 ?
O4 Cs3 O11 163.47(15) 4_456 2 ?
O12 Cs3 O11 57.44(14) 3_645 2 ?
O13 Cs3 O11 44.73(13) 2 2 ?
O10 Cs3 O11 71.09(14) 2 2 ?
O4 Cs3 O6 76.31(15) 4_456 1_455 ?
O12 Cs3 O6 98.87(14) 3_645 1_455 ?
O13 Cs3 O6 83.47(14) 2 1_455 ?
O10 Cs3 O6 152.81(14) 2 1_455 ?
O11 Cs3 O6 87.26(14) 2 1_455 ?
O4 Cs3 O5 105.58(14) 4_456 1_455 ?
O12 Cs3 O5 56.89(14) 3_645 1_455 ?
O13 Cs3 O5 87.81(14) 2 1_455 ?
O10 Cs3 O5 129.39(15) 2 1_455 ?
O11 Cs3 O5 61.64(14) 2 1_455 ?
O6 Cs3 O5 42.35(13) 1_455 1_455 ?
O4 Cs3 O3 70.31(13) 4_456 4_456 ?
O12 Cs3 O3 96.56(13) 3_645 4_456 ?
O13 Cs3 O3 122.29(13) 2 4_456 ?
O10 Cs3 O3 58.88(13) 2 4_456 ?
O11 Cs3 O3 126.22(13) 2 4_456 ?
O6 Cs3 O3 146.18(14) 1_455 4_456 ?
O5 Cs3 O3 145.12(14) 1_455 4_456 ?
O4 Cs3 P4 153.06(11) 4_456 2 ?
O12 Cs3 P4 79.13(11) 3_645 2 ?
O13 Cs3 P4 23.55(10) 2 2 ?
O10 Cs3 P4 61.17(10) 2 2 ?
O11 Cs3 P4 23.52(9) 2 2 ?
O6 Cs3 P4 92.48(11) 1_455 2 ?
O5 Cs3 P4 79.95(11) 1_455 2 ?
O3 Cs3 P4 119.99(9) 4_456 2 ?
O4 Cs3 O6 41.83(13) 4_456 4_456 ?
O12 Cs3 O6 84.52(14) 3_645 4_456 ?
O13 Cs3 O6 164.20(14) 2 4_456 ?
O10 Cs3 O6 125.83(14) 2 4_456 ?
O11 Cs3 O6 137.99(13) 2 4_456 ?
O6 Cs3 O6 81.29(2) 1_455 4_456 ?
O5 Cs3 O6 83.75(14) 1_455 4_456 ?
O3 Cs3 O6 70.44(13) 4_456 4_456 ?
P4 Cs3 O6 161.41(9) 2 4_456 ?
O4 Cs3 P2 22.32(11) 4_456 4_456 ?
O12 Cs3 P2 105.54(11) 3_645 4_456 ?
O13 Cs3 P2 151.77(10) 2 4_456 ?
O10 Cs3 P2 119.45(10) 2 4_456 ?
O11 Cs3 P2 160.49(9) 2 4_456 ?
O6 Cs3 P2 86.23(11) 1_455 4_456 ?
O5 Cs3 P2 101.98(11) 1_455 4_456 ?
O3 Cs3 P2 60.62(9) 4_456 4_456 ?
P4 Cs3 P2 175.29(4) 2 4_456 ?
O6 Cs3 P2 22.55(9) 4_456 4_456 ?
O4 Cs3 P4 118.11(11) 4_456 3_645 ?
O12 Cs3 P4 19.83(10) 3_645 3_645 ?
O13 Cs3 P4 112.34(10) 2 3_645 ?
O10 Cs3 P4 72.92(11) 2 3_645 ?
O11 Cs3 P4 70.71(10) 2 3_645 ?
O6 Cs3 P4 115.99(10) 1_455 3_645 ?
O5 Cs3 P4 75.36(10) 1_455 3_645 ?
O3 Cs3 P4 76.74(9) 4_456 3_645 ?
P4 Cs3 P4 88.83(2) 2 3_645 ?
O6 Cs3 P4 78.40(10) 4_456 3_645 ?
P2 Cs3 P4 95.80(4) 4_456 3_645 ?
O8 Bi1 O9 76.4(2) . 3_645 ?
O8 Bi1 O4 81.00(19) . . ?
O9 Bi1 O4 86.8(2) 3_645 . ?
O8 Bi1 O13 79.99(19) . . ?
O9 Bi1 O13 96.5(2) 3_645 . ?
O4 Bi1 O13 159.34(19) . . ?
O8 Bi1 O1 88.00(18) . . ?
O9 Bi1 O1 159.34(19) 3_645 . ?
O4 Bi1 O1 77.34(17) . . ?
O13 Bi1 O1 93.95(18) . . ?
O8 Bi1 O2 153.44(19) . 3_745 ?
O9 Bi1 O2 84.16(18) 3_645 3_745 ?
O4 Bi1 O2 116.13(17) . 3_745 ?
O13 Bi1 O2 84.52(17) . 3_745 ?
O1 Bi1 O2 114.64(15) . 3_745 ?
O8 Bi1 Sr1 111.98(13) . 1_655 ?
O9 Bi1 Sr1 161.51(16) 3_645 1_655 ?
O4 Bi1 Sr1 110.41(14) . 1_655 ?
O13 Bi1 Sr1 69.88(15) . 1_655 ?
O1 Bi1 Sr1 38.60(11) . 1_655 ?
O2 Bi1 Sr1 82.20(11) 3_745 1_655 ?
O8 Bi1 Sr1 145.44(13) . 3_645 ?
O9 Bi1 Sr1 74.45(17) 3_645 3_645 ?
O4 Bi1 Sr1 79.33(14) . 3_645 ?
O13 Bi1 Sr1 121.24(14) . 3_645 ?
O1 Bi1 Sr1 114.72(11) . 3_645 ?
O2 Bi1 Sr1 37.45(10) 3_745 3_645 ?
Sr1 Bi1 Sr1 101.437(9) 1_655 3_645 ?
O8 Bi1 Cs2 40.55(13) . . ?
O9 Bi1 Cs2 37.65(15) 3_645 . ?
O4 Bi1 Cs2 73.25(14) . . ?
O13 Bi1 Cs2 97.04(14) . . ?
O1 Bi1 Cs2 123.25(11) . . ?
O2 Bi1 Cs2 121.75(11) 3_745 . ?
Sr1 Bi1 Cs2 152.418(12) 1_655 . ?
Sr1 Bi1 Cs2 106.062(11) 3_645 . ?
O8 Bi1 Cs1 90.74(13) . 4_556 ?
O9 Bi1 Cs1 52.25(18) 3_645 4_556 ?
O4 Bi1 Cs1 39.25(14) . 4_556 ?
O13 Bi1 Cs1 148.73(15) . 4_556 ?
O1 Bi1 Cs1 115.68(10) . 4_556 ?
O2 Bi1 Cs1 91.43(10) 3_745 4_556 ?
Sr1 Bi1 Cs1 140.325(11) 1_655 4_556 ?
Sr1 Bi1 Cs1 56.575(10) 3_645 4_556 ?
Cs2 Bi1 Cs1 59.166(9) . 4_556 ?
O8 Bi1 Cs3 66.71(15) . 2_554 ?
O9 Bi1 Cs3 61.18(18) 3_645 2_554 ?
O4 Bi1 Cs3 138.32(14) . 2_554 ?
O13 Bi1 Cs3 36.00(15) . 2_554 ?
O1 Bi1 Cs3 124.70(10) . 2_554 ?
O2 Bi1 Cs3 88.18(11) 3_745 2_554 ?
Sr1 Bi1 Cs3 105.864(12) 1_655 2_554 ?
Sr1 Bi1 Cs3 112.995(12) 3_645 2_554 ?
Cs2 Bi1 Cs3 65.106(10) . 2_554 ?
Cs1 Bi1 Cs3 113.059(10) 4_556 2_554 ?
O8 Bi1 Cs3 53.33(15) . 4_556 ?
O9 Bi1 Cs3 93.76(15) 3_645 4_556 ?
O4 Bi1 Cs3 31.45(14) . 4_556 ?
O13 Bi1 Cs3 127.90(14) . 4_556 ?
O1 Bi1 Cs3 65.85(11) . 4_556 ?
O2 Bi1 Cs3 147.43(10) 3_745 4_556 ?
Sr1 Bi1 Cs3 104.447(12) 1_655 4_556 ?
Sr1 Bi1 Cs3 110.738(12) 3_645 4_556 ?
Cs2 Bi1 Cs3 63.701(11) . 4_556 ?
Cs1 Bi1 Cs3 62.847(10) 4_556 4_556 ?
Cs3 Bi1 Cs3 119.228(9) 2_554 4_556 ?
O11 Sr1 O5 92.4(2) 4_455 3_655 ?
O11 Sr1 O12 78.59(18) 4_455 1_455 ?
O5 Sr1 O12 79.7(2) 3_655 1_455 ?
O11 Sr1 O3 91.4(2) 4_455 3_645 ?
O5 Sr1 O3 175.8(2) 3_655 3_645 ?
O12 Sr1 O3 99.3(2) 1_455 3_645 ?
O11 Sr1 O10 84.77(18) 4_455 . ?
O5 Sr1 O10 98.2(2) 3_655 . ?
O12 Sr1 O10 163.11(17) 1_455 . ?
O3 Sr1 O10 83.9(2) 3_645 . ?
O11 Sr1 O2 154.72(18) 4_455 1_455 ?
O5 Sr1 O2 80.0(2) 3_655 1_455 ?
O12 Sr1 O2 122.90(17) 1_455 1_455 ?
O3 Sr1 O2 97.24(17) 3_645 1_455 ?
O10 Sr1 O2 72.67(16) . 1_455 ?
O11 Sr1 O1 149.56(16) 4_455 1_455 ?
O5 Sr1 O1 88.7(2) 3_655 1_455 ?
O12 Sr1 O1 71.69(15) 1_455 1_455 ?
O3 Sr1 O1 87.08(18) 3_645 1_455 ?
O10 Sr1 O1 125.17(15) . 1_455 ?
O2 Sr1 O1 55.07(14) 1_455 1_455 ?
O11 Sr1 P1 173.71(15) 4_455 1_455 ?
O5 Sr1 P1 82.30(18) 3_655 1_455 ?
O12 Sr1 P1 97.02(13) 1_455 1_455 ?
O3 Sr1 P1 93.77(14) 3_645 1_455 ?
O10 Sr1 P1 99.33(12) . 1_455 ?
O2 Sr1 P1 27.48(11) 1_455 1_455 ?
O1 Sr1 P1 27.65(9) 1_455 1_455 ?
O11 Sr1 Bi1 123.59(14) 4_455 1_455 ?
O5 Sr1 Bi1 118.19(16) 3_655 1_455 ?
O12 Sr1 Bi1 63.78(13) 1_455 1_455 ?
O3 Sr1 Bi1 58.01(14) 3_645 1_455 ?
O10 Sr1 Bi1 129.87(14) . 1_455 ?
O2 Sr1 Bi1 80.68(11) 1_455 1_455 ?
O1 Sr1 Bi1 34.62(10) 1_455 1_455 ?
P1 Sr1 Bi1 57.04(3) 1_455 1_455 ?
O11 Sr1 Bi1 122.43(14) 4_455 3_655 ?
O5 Sr1 Bi1 50.13(17) 3_655 3_655 ?
O12 Sr1 Bi1 122.88(16) 1_455 3_655 ?
O3 Sr1 Bi1 128.52(14) 3_645 3_655 ?
O10 Sr1 Bi1 64.48(14) . 3_655 ?
O2 Sr1 Bi1 36.73(11) 1_455 3_655 ?
O1 Sr1 Bi1 80.63(10) 1_455 3_655 ?
P1 Sr1 Bi1 56.23(3) 1_455 3_655 ?
Bi1 Sr1 Bi1 113.227(13) 1_455 3_655 ?
O11 Sr1 Cs1 55.20(14) 4_455 2_564 ?
O5 Sr1 Cs1 58.18(16) 3_655 2_564 ?
O12 Sr1 Cs1 111.67(13) 1_455 2_564 ?
O3 Sr1 Cs1 125.74(14) 3_645 2_564 ?
O10 Sr1 Cs1 54.93(14) . 2_564 ?
O2 Sr1 Cs1 101.23(11) 1_455 2_564 ?
O1 Sr1 Cs1 143.89(11) 1_455 2_564 ?
P1 Sr1 Cs1 123.55(4) 1_455 2_564 ?
Bi1 Sr1 Cs1 175.156(18) 1_455 2_564 ?
Bi1 Sr1 Cs1 67.392(11) 3_655 2_564 ?
O11 Sr1 Cs1 52.42(14) 4_455 3_545 ?
O5 Sr1 Cs1 127.24(17) 3_655 3_545 ?
O12 Sr1 Cs1 57.83(15) 1_455 3_545 ?
O3 Sr1 Cs1 54.48(13) 3_645 3_545 ?
O10 Sr1 Cs1 113.35(13) . 3_545 ?
O2 Sr1 Cs1 148.10(11) 1_455 3_545 ?
O1 Sr1 Cs1 104.11(10) 1_455 3_545 ?
P1 Sr1 Cs1 128.85(4) 1_455 3_545 ?
Bi1 Sr1 Cs1 71.829(12) 1_455 3_545 ?
Bi1 Sr1 Cs1 174.855(17) 3_655 3_545 ?
Cs1 Sr1 Cs1 107.487(14) 2_564 3_545 ?
O3 P1 O2 113.4(3) . . ?
O3 P1 O1 115.4(3) . . ?
O2 P1 O1 109.2(3) . . ?
O3 P1 O7 106.9(3) . . ?
O2 P1 O7 103.3(3) . . ?
O1 P1 O7 107.8(3) . . ?
O3 P1 Sr1 131.8(2) . 1_655 ?
O2 P1 Sr1 53.62(19) . 1_655 ?
O1 P1 Sr1 55.71(18) . 1_655 ?
O7 P1 Sr1 121.1(2) . 1_655 ?
O3 P1 Cs1 67.1(2) . 1_655 ?
O2 P1 Cs1 92.25(19) . 1_655 ?
O1 P1 Cs1 153.38(19) . 1_655 ?
O7 P1 Cs1 50.03(18) . 1_655 ?
Sr1 P1 Cs1 144.23(6) 1_655 1_655 ?
O3 P1 Cs2 138.7(2) . 1_655 ?
O2 P1 Cs2 51.76(19) . 1_655 ?
O1 P1 Cs2 105.8(2) . 1_655 ?
O7 P1 Cs2 54.54(19) . 1_655 ?
Sr1 P1 Cs2 75.00(4) 1_655 1_655 ?
Cs1 P1 Cs2 74.77(3) 1_655 1_655 ?
O3 P1 Cs2 65.1(2) . 3_655 ?
O2 P1 Cs2 109.31(19) . 3_655 ?
O1 P1 Cs2 56.1(2) . 3_655 ?
O7 P1 Cs2 146.95(19) . 3_655 ?
Sr1 P1 Cs2 76.28(4) 1_655 3_655 ?
Cs1 P1 Cs2 132.03(5) 1_655 3_655 ?
Cs2 P1 Cs2 151.28(5) 1_655 3_655 ?
O3 P1 Cs3 57.1(2) . 4_556 ?
O2 P1 Cs3 167.5(2) . 4_556 ?
O1 P1 Cs3 83.15(18) . 4_556 ?
O7 P1 Cs3 74.13(19) . 4_556 ?
Sr1 P1 Cs3 138.36(5) 1_655 4_556 ?
Cs1 P1 Cs3 76.63(3) 1_655 4_556 ?
Cs2 P1 Cs3 128.38(4) 1_655 4_556 ?
Cs2 P1 Cs3 75.22(3) 3_655 4_556 ?
O6 P2 O5 116.4(4) . . ?
O6 P2 O4 112.6(3) . . ?
O5 P2 O4 109.4(4) . . ?
O6 P2 O7 106.5(3) . . ?
O5 P2 O7 104.9(3) . . ?
O4 P2 O7 106.3(3) . . ?
O6 P2 Cs1 73.3(3) . 4_556 ?
O5 P2 Cs1 81.8(3) . 4_556 ?
O4 P2 Cs1 67.3(2) . 4_556 ?
O7 P2 Cs1 172.3(2) . 4_556 ?
O6 P2 Cs1 56.8(3) . 1_655 ?
O5 P2 Cs1 121.5(3) . 1_655 ?
O4 P2 Cs1 127.2(2) . 1_655 ?
O7 P2 Cs1 49.85(18) . 1_655 ?
Cs1 P2 Cs1 129.94(5) 4_556 1_655 ?
O6 P2 Cs3 76.9(3) . 4_556 ?
O5 P2 Cs3 156.4(3) . 4_556 ?
O4 P2 Cs3 47.3(2) . 4_556 ?
O7 P2 Cs3 88.4(2) . 4_556 ?
Cs1 P2 Cs3 84.00(4) 4_556 4_556 ?
Cs1 P2 Cs3 81.99(4) 1_655 4_556 ?
O6 P2 Cs2 112.7(3) . 1_655 ?
O5 P2 Cs2 55.9(3) . 1_655 ?
O4 P2 Cs2 133.8(2) . 1_655 ?
O7 P2 Cs2 51.52(19) . 1_655 ?
Cs1 P2 Cs2 135.98(5) 4_556 1_655 ?
Cs1 P2 Cs2 73.48(3) 1_655 1_655 ?
Cs3 P2 Cs2 139.89(5) 4_556 1_655 ?
O6 P2 Cs3 56.6(3) . 1_655 ?
O5 P2 Cs3 61.4(3) . 1_655 ?
O4 P2 Cs3 145.2(2) . 1_655 ?
O7 P2 Cs3 108.50(19) . 1_655 ?
Cs1 P2 Cs3 77.96(4) 4_556 1_655 ?
Cs1 P2 Cs3 77.55(3) 1_655 1_655 ?
Cs3 P2 Cs3 133.15(4) 4_556 1_655 ?
Cs2 P2 Cs3 71.84(3) 1_655 1_655 ?
O10 P3 O8 116.3(4) . . ?
O10 P3 O9 114.1(4) . . ?
O8 P3 O9 108.0(3) . . ?
O10 P3 O14 109.8(3) . . ?
O8 P3 O14 107.0(3) . . ?
O9 P3 O14 100.3(3) . . ?
O10 P3 Cs1 70.4(2) . 2_564 ?
O8 P3 Cs1 162.82(19) . 2_564 ?
O9 P3 Cs1 81.4(3) . 2_564 ?
O14 P3 Cs1 56.38(18) . 2_564 ?
O10 P3 Cs2 146.0(3) . 3_655 ?
O8 P3 Cs2 97.3(2) . 3_655 ?
O9 P3 Cs2 54.9(2) . 3_655 ?
O14 P3 Cs2 51.41(19) . 3_655 ?
Cs1 P3 Cs2 76.00(4) 2_564 3_655 ?
O10 P3 Cs2 68.5(2) . . ?
O8 P3 Cs2 56.45(19) . . ?
O9 P3 Cs2 103.4(2) . . ?
O14 P3 Cs2 154.49(19) . . ?
Cs1 P3 Cs2 136.72(5) 2_564 . ?
Cs2 P3 Cs2 141.74(5) 3_655 . ?
O10 P3 Cs3 46.4(2) . 2_554 ?
O8 P3 Cs3 91.3(2) . 2_554 ?
O9 P3 Cs3 158.5(3) . 2_554 ?
O14 P3 Cs3 82.38(19) . 2_554 ?
Cs1 P3 Cs3 82.52(4) 2_564 2_554 ?
Cs2 P3 Cs3 133.53(4) 3_655 2_554 ?
Cs2 P3 Cs3 79.04(4) . 2_554 ?
O12 P4 O11 115.6(3) . . ?
O12 P4 O13 113.2(4) . . ?
O11 P4 O13 110.9(3) . . ?
O12 P4 O14 104.4(3) . . ?
O11 P4 O14 107.4(3) . . ?
O13 P4 O14 104.4(3) . . ?
O12 P4 Cs1 81.7(3) . 3_645 ?
O11 P4 Cs1 75.9(2) . 3_645 ?
O13 P4 Cs1 66.0(2) . 3_645 ?
O14 P4 Cs1 170.30(18) . 3_645 ?
O12 P4 Cs3 162.6(3) . 2_554 ?
O11 P4 Cs3 64.9(2) . 2_554 ?
O13 P4 Cs3 54.5(2) . 2_554 ?
O14 P4 Cs3 91.44(18) . 2_554 ?
Cs1 P4 Cs3 81.65(4) 3_645 2_554 ?
O12 P4 Cs1 112.3(3) . 2_564 ?
O11 P4 Cs1 59.7(2) . 2_564 ?
O13 P4 Cs1 132.1(2) . 2_564 ?
O14 P4 Cs1 49.56(18) . 2_564 ?
Cs1 P4 Cs1 135.40(5) 3_645 2_564 ?
Cs3 P4 Cs1 83.42(4) 2_554 2_564 ?
O12 P4 Cs3 44.8(2) . 3_655 ?
O11 P4 Cs3 73.4(2) . 3_655 ?
O13 P4 Cs3 147.6(2) . 3_655 ?
O14 P4 Cs3 104.53(18) . 3_655 ?
Cs1 P4 Cs3 85.13(4) 3_645 3_655 ?
Cs3 P4 Cs3 138.21(5) 2_554 3_655 ?
Cs1 P4 Cs3 78.72(4) 2_564 3_655 ?
O12 P4 Cs2 59.7(2) . 3_655 ?
O11 P4 Cs2 124.0(3) . 3_655 ?
O13 P4 Cs2 122.0(2) . 3_655 ?
O14 P4 Cs2 44.69(18) . 3_655 ?
Cs1 P4 Cs2 141.04(5) 3_645 3_655 ?
Cs3 P4 Cs2 135.89(5) 2_554 3_655 ?
Cs1 P4 Cs2 71.24(3) 2_564 3_655 ?
Cs3 P4 Cs2 71.97(4) 3_655 3_655 ?
P1 O1 Bi1 129.3(3) . . ?
P1 O1 Sr1 96.6(2) . 1_655 ?
Bi1 O1 Sr1 106.78(18) . 1_655 ?
P1 O1 Cs2 101.7(2) . 3_655 ?
Bi1 O1 Cs2 119.69(15) . 3_655 ?
Sr1 O1 Cs2 94.92(13) 1_655 3_655 ?
P1 O2 Bi1 119.5(3) . 3_755 ?
P1 O2 Sr1 98.9(2) . 1_655 ?
Bi1 O2 Sr1 105.81(16) 3_755 1_655 ?
P1 O2 Cs2 105.8(2) . 1_655 ?
Bi1 O2 Cs2 124.17(18) 3_755 1_655 ?
Sr1 O2 Cs2 96.93(15) 1_655 1_655 ?
P1 O3 Sr1 165.8(4) . 3_655 ?
P1 O3 Cs1 89.3(3) . 1_655 ?
Sr1 O3 Cs1 89.68(16) 3_655 1_655 ?
P1 O3 Cs2 92.5(3) . 3_655 ?
Sr1 O3 Cs2 89.38(16) 3_655 3_655 ?
Cs1 O3 Cs2 176.1(2) 1_655 3_655 ?
P1 O3 Cs3 102.6(3) . 4_556 ?
Sr1 O3 Cs3 91.61(16) 3_655 4_556 ?
Cs1 O3 Cs3 88.71(14) 1_655 4_556 ?
Cs2 O3 Cs3 87.53(13) 3_655 4_556 ?
P2 O4 Bi1 111.1(3) . . ?
P2 O4 Cs3 110.4(3) . 4_556 ?
Bi1 O4 Cs3 124.6(2) . 4_556 ?
P2 O4 Cs1 86.6(2) . 4_556 ?
Bi1 O4 Cs1 113.7(2) . 4_556 ?
Cs3 O4 Cs1 103.76(15) 4_556 4_556 ?
P2 O5 Sr1 157.6(4) . 3_645 ?
P2 O5 Cs2 102.3(3) . 1_655 ?
Sr1 O5 Cs2 99.52(19) 3_645 1_655 ?
P2 O5 Cs3 96.9(3) . 1_655 ?
Sr1 O5 Cs3 89.80(19) 3_645 1_655 ?
Cs2 O5 Cs3 85.20(16) 1_655 1_655 ?
P2 O5 Cs1 73.9(3) . 4_556 ?
Sr1 O5 Cs1 85.80(18) 3_645 4_556 ?
Cs2 O5 Cs1 167.1(2) 1_655 4_556 ?
Cs3 O5 Cs1 83.07(16) 1_655 4_556 ?
P2 O6 Cs1 100.6(3) . 1_655 ?
P2 O6 Cs2 160.5(4) . 4_556 ?
Cs1 O6 Cs2 89.19(15) 1_655 4_556 ?
P2 O6 Cs1 82.0(3) . 4_556 ?
Cs1 O6 Cs1 175.7(2) 1_655 4_556 ?
Cs2 O6 Cs1 87.40(14) 4_556 4_556 ?
P2 O6 Cs3 102.4(3) . 1_655 ?
Cs1 O6 Cs3 94.53(17) 1_655 1_655 ?
Cs2 O6 Cs3 93.56(14) 4_556 1_655 ?
Cs1 O6 Cs3 88.26(16) 4_556 1_655 ?
P2 O6 Cs3 80.5(3) . 4_556 ?
Cs1 O6 Cs3 90.68(17) 1_655 4_556 ?
Cs2 O6 Cs3 82.51(15) 4_556 4_556 ?
Cs1 O6 Cs3 86.32(15) 4_556 4_556 ?
Cs3 O6 Cs3 173.4(2) 1_655 4_556 ?
P1 O7 P2 136.5(3) . . ?
P1 O7 Cs1 105.6(2) . 1_655 ?
P2 O7 Cs1 105.5(2) . 1_655 ?
P1 O7 Cs2 101.1(2) . 1_655 ?
P2 O7 Cs2 104.7(2) . 1_655 ?
Cs1 O7 Cs2 96.56(13) 1_655 1_655 ?
P3 O8 Bi1 132.9(3) . . ?
P3 O8 Cs2 100.8(2) . . ?
Bi1 O8 Cs2 113.28(19) . . ?
P3 O9 Bi1 140.0(4) . 3_655 ?
P3 O9 Cs2 101.9(3) . 3_655 ?
Bi1 O9 Cs2 117.0(2) 3_655 3_655 ?
P3 O9 Cs1 75.0(3) . 2_564 ?
Bi1 O9 Cs1 99.9(2) 3_655 2_564 ?
Cs2 O9 Cs1 82.61(13) 3_655 2_564 ?
P3 O10 Sr1 144.2(4) . . ?
P3 O10 Cs3 113.9(3) . 2_554 ?
Sr1 O10 Cs3 101.88(17) . 2_554 ?
P3 O10 Cs1 85.9(3) . 2_564 ?
Sr1 O10 Cs1 87.77(17) . 2_564 ?
Cs3 O10 Cs1 99.49(14) 2_554 2_564 ?
P3 O10 Cs2 88.8(2) . . ?
Sr1 O10 Cs2 88.52(15) . . ?
Cs3 O10 Cs2 95.34(17) 2_554 . ?
Cs1 O10 Cs2 165.2(2) 2_564 . ?
P4 O11 Sr1 167.0(4) . 4 ?
P4 O11 Cs1 97.9(3) . 2_564 ?
Sr1 O11 Cs1 92.64(17) 4 2_564 ?
P4 O11 Cs3 91.5(3) . 2_554 ?
Sr1 O11 Cs3 94.69(17) 4 2_554 ?
Cs1 O11 Cs3 97.01(15) 2_564 2_554 ?
P4 O11 Cs1 79.4(2) . 3_645 ?
Sr1 O11 Cs1 89.47(17) 4 3_645 ?
Cs1 O11 Cs1 174.77(19) 2_564 3_645 ?
Cs3 O11 Cs1 87.58(14) 2_554 3_645 ?
P4 O12 Sr1 140.1(4) . 1_655 ?
P4 O12 Cs3 115.4(3) . 3_655 ?
Sr1 O12 Cs3 101.39(17) 1_655 3_655 ?
P4 O12 Cs2 98.5(3) . 3_655 ?
Sr1 O12 Cs2 95.90(18) 1_655 3_655 ?
Cs3 O12 Cs2 90.40(17) 3_655 3_655 ?
P4 O12 Cs1 74.2(3) . 3_645 ?
Sr1 O12 Cs1 86.48(17) 1_655 3_645 ?
Cs3 O12 Cs1 97.94(14) 3_655 3_645 ?
Cs2 O12 Cs1 170.72(18) 3_655 3_645 ?
P4 O13 Bi1 121.1(3) . . ?
P4 O13 Cs3 101.9(3) . 2_554 ?
Bi1 O13 Cs3 117.7(2) . 2_554 ?
P4 O13 Cs1 88.2(2) . 3_645 ?
Bi1 O13 Cs1 124.5(2) . 3_645 ?
Cs3 O13 Cs1 97.22(15) 2_554 3_645 ?
P3 O14 P4 131.7(3) . . ?
P3 O14 Cs2 104.3(2) . 3_655 ?
P4 O14 Cs2 113.0(2) . 3_655 ?
P3 O14 Cs1 97.9(2) . 2_564 ?
P4 O14 Cs1 106.6(2) . 2_564 ?
Cs2 O14 Cs1 96.80(13) 3_655 2_564 ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_89
_database_code_depnum_ccdc_archive 'CCDC 1583575'
_audit_update_record             
;
2017-11-02 deposited with the CCDC.
2018-01-08 downloaded from the CCDC.
;

_audit_creation_date             2008-02-13T13:27:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Bi O14 P4, 3(Cs), Ca'
_chemical_formula_sum            'Bi Ca Cs3 O14 P4'
_chemical_formula_weight         995.67
_chemical_absolute_configuration ad

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.28730(10)
_cell_length_b                   9.42920(10)
_cell_length_c                   17.61620(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1542.68(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    17891
_cell_measurement_theta_min      3.08
_cell_measurement_theta_max      32.00

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    4.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1760
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    19.22
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.2357
_exptl_absorpt_correction_T_max  0.4234

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'fine focus sealed tube'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  XCalibur-3
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_number            17891
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         32
_diffrn_reflns_theta_full        32
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_reflns_number_total             5341
_reflns_number_gt                5099
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction Ltd., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0400P)²+5.6496P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   undef
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.00082(7)
_refine_ls_number_reflns         5341
_refine_ls_number_parameters     209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0644
_refine_ls_wR_factor_gt          0.0632
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_restrained_S_all      1.04
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.003(4)
_refine_diff_density_max         2.425
_refine_diff_density_min         -1.857
_refine_diff_density_rms         0.235

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.368 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.11567(4) 0.48665(3) 0.498757(19) 0.01702(7) Uani 1 1 d . . .
Cs2 Cs 0.27066(4) 0.14483(4) 0.33569(2) 0.02659(8) Uani 1 1 d . . .
Cs3 Cs 0.11909(5) 0.00324(4) 0.56563(3) 0.02840(9) Uani 1 1 d . . .
Bi1 Bi 0.730090(19) 0.146186(18) 0.249723(11) 0.01228(5) Uani 1 1 d . . .
Ca1 Ca 0.06336(10) 0.31751(9) 0.13101(5) 0.00563(14) Uani 1 1 d . . .
P1 P 0.98245(15) 0.42848(14) 0.29832(7) 0.0111(2) Uani 1 1 d . . .
P2 P 0.88579(15) 0.20625(13) 0.41201(7) 0.0121(2) Uani 1 1 d . . .
P3 P 0.45687(13) 0.35239(15) 0.18091(7) 0.0109(2) Uani 1 1 d . . .
P4 P 0.68042(15) 0.25624(15) 0.07269(8) 0.0126(2) Uani 1 1 d . . .
O1 O 0.8729(6) 0.3723(5) 0.2433(3) 0.0275(10) Uani 1 1 d . . .
O2 O 1.1294(5) 0.4159(5) 0.2606(3) 0.0226(9) Uani 1 1 d . . .
O3 O 0.9548(5) 0.5738(5) 0.3306(3) 0.0236(9) Uani 1 1 d . . .
O4 O 0.7382(5) 0.2216(5) 0.3733(2) 0.0238(9) Uani 1 1 d . . .
O5 O 0.9520(6) 0.0634(5) 0.3963(3) 0.0315(11) Uani 1 1 d . . .
O6 O 0.8813(6) 0.2505(5) 0.4932(3) 0.0256(9) Uani 1 1 d . . .
O7 O 0.9921(5) 0.3187(4) 0.3688(2) 0.0170(8) Uani 1 1 d . . .
O8 O 0.5296(5) 0.2739(5) 0.2460(3) 0.0249(9) Uani 1 1 d . . .
O9 O 0.4353(5) 0.5064(4) 0.2043(3) 0.0262(10) Uani 1 1 d . . .
O10 O 0.3262(5) 0.2861(5) 0.1490(3) 0.0278(10) Uani 1 1 d . . .
O11 O 0.6235(5) 0.2412(5) -0.0066(3) 0.0242(9) Uani 1 1 d . . .
O12 O 0.8286(4) 0.3182(5) 0.0788(3) 0.0250(9) Uani 1 1 d . . .
O13 O 0.6637(5) 0.1199(4) 0.1188(2) 0.0210(8) Uani 1 1 d . . .
O14 O 0.5767(4) 0.3713(4) 0.1157(2) 0.0177(8) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O7 3.011(4) 1_455 ?
Cs1 O14 3.039(4) 2_565 ?
Cs1 O6 3.115(5) 1_455 ?
Cs1 O13 3.173(4) 3_655 ?
Cs1 O4 3.198(5) 4_456 ?
Cs1 O6 3.333(5) 4_456 ?
Cs1 O11 3.395(5) 2_565 ?
Cs1 P4 3.4106(14) 3_655 ?
Cs1 O11 3.413(5) 3_655 ?
Cs1 O3 3.418(5) 1_455 ?
Cs1 O10 3.448(6) 2_565 ?
Cs1 O12 3.451(5) 3_655 ?
Cs2 O14 3.065(4) 3_645 ?
Cs2 O9 3.108(5) 3_645 ?
Cs2 O7 3.118(4) 1_455 ?
Cs2 O8 3.123(5) . ?
Cs2 O2 3.162(4) 1_455 ?
Cs2 O1 3.212(5) 3_645 ?
Cs2 O5 3.239(6) 1_455 ?
Cs2 O6 3.335(5) 4_456 ?
Cs2 O12 3.550(5) 3_645 ?
Cs2 O10 3.585(6) . ?
Cs2 O3 3.662(5) 3_645 ?
Cs2 P3 3.7540(14) 3_645 ?
Cs3 O4 3.019(5) 4_456 ?
Cs3 O13 3.020(5) 2 ?
Cs3 O12 3.123(5) 3_645 ?
Cs3 O10 3.140(5) 2 ?
Cs3 O5 3.410(6) 1_455 ?
Cs3 O6 3.456(5) 1_455 ?
Cs3 O11 3.465(5) 2 ?
Cs3 O6 3.521(6) 4_456 ?
Cs3 O11 3.592(5) 3_645 ?
Cs3 O3 3.687(5) 4_456 ?
Cs3 P4 3.7067(15) 2 ?
Cs3 P2 3.7140(14) 4_456 ?
Bi1 O9 2.180(4) 3_645 ?
Bi1 O8 2.219(4) . ?
Bi1 O4 2.292(4) . ?
Bi1 O13 2.400(4) . ?
Bi1 O1 2.513(4) . ?
Bi1 O2 2.540(5) 3_745 ?
Bi1 Ca1 4.0698(9) 1_655 ?
Bi1 Cs1 4.7255(4) 4_556 ?
Ca1 O11 2.328(4) 4_455 ?
Ca1 O12 2.366(4) 1_455 ?
Ca1 O5 2.372(5) 3_655 ?
Ca1 O3 2.402(4) 3_645 ?
Ca1 O10 2.479(5) . ?
Ca1 O2 2.540(5) 1_455 ?
Ca1 O1 2.704(6) 1_455 ?
Ca1 P1 3.2166(16) 1_455 ?
Ca1 Bi1 4.0698(9) 1_455 ?
Ca1 Cs1 4.2100(9) 3_545 ?
Ca1 Cs1 4.2100(9) 2_564 ?
Ca1 Cs3 4.2355(10) 3 ?
P1 O1 1.502(5) . ?
P1 O3 1.505(4) . ?
P1 O2 1.522(4) . ?
P1 O7 1.619(4) . ?
P1 Ca1 3.2166(16) 1_655 ?
P1 Cs1 3.7814(13) 1_655 ?
P1 Cs2 3.8407(14) 1_655 ?
P1 Cs2 3.9065(14) 3_655 ?
P1 Cs3 4.1889(15) 4_556 ?
P2 O6 1.490(5) . ?
P2 O5 1.506(5) . ?
P2 O4 1.537(5) . ?
P2 O7 1.637(4) . ?
P2 Cs1 3.4745(14) 4_556 ?
P2 Cs3 3.7140(14) 4_556 ?
P2 Cs1 3.7261(13) 1_655 ?
P2 Cs2 3.8626(14) 1_655 ?
P2 Cs3 3.9602(14) 1_655 ?
P3 O10 1.476(5) . ?
P3 O9 1.523(4) . ?
P3 O8 1.523(5) . ?
P3 O14 1.609(4) . ?
P3 Cs1 3.6130(13) 2_564 ?
P3 Cs2 3.7540(14) 3_655 ?
P3 Cs3 3.9832(14) 2_554 ?
P4 O12 1.499(5) . ?
P4 O11 1.500(4) . ?
P4 O13 1.528(4) . ?
P4 O14 1.636(4) . ?
P4 Cs1 3.4106(14) 3_645 ?
P4 Cs3 3.7067(15) 2_554 ?
P4 Cs3 3.8508(15) 3_655 ?
P4 Cs1 3.8905(14) 2_564 ?
P4 Cs2 4.0295(14) 3_655 ?
O1 Ca1 2.704(6) 1_655 ?
O1 Cs2 3.212(5) 3_655 ?
O2 Ca1 2.540(5) 1_655 ?
O2 Bi1 2.540(5) 3_755 ?
O2 Cs2 3.162(4) 1_655 ?
O3 Ca1 2.402(4) 3_655 ?
O3 Cs1 3.418(5) 1_655 ?
O3 Cs2 3.662(5) 3_655 ?
O3 Cs3 3.687(5) 4_556 ?
O4 Cs3 3.019(5) 4_556 ?
O4 Cs1 3.198(5) 4_556 ?
O5 Ca1 2.372(5) 3_645 ?
O5 Cs2 3.239(6) 1_655 ?
O5 Cs3 3.410(6) 1_655 ?
O5 Cs1 3.660(6) 4_556 ?
O6 Cs1 3.115(5) 1_655 ?
O6 Cs1 3.333(5) 4_556 ?
O6 Cs2 3.335(5) 4_556 ?
O6 Cs3 3.456(5) 1_655 ?
O6 Cs3 3.521(6) 4_556 ?
O7 Cs1 3.011(4) 1_655 ?
O7 Cs2 3.118(4) 1_655 ?
O9 Bi1 2.180(4) 3_655 ?
O9 Cs2 3.108(5) 3_655 ?
O9 Cs1 3.653(5) 2_564 ?
O10 Cs3 3.140(5) 2_554 ?
O10 Cs1 3.448(6) 2_564 ?
O11 Ca1 2.328(4) 4 ?
O11 Cs1 3.395(5) 2_564 ?
O11 Cs1 3.413(5) 3_645 ?
O11 Cs3 3.465(5) 2_554 ?
O11 Cs3 3.592(5) 3_655 ?
O12 Ca1 2.366(4) 1_655 ?
O12 Cs3 3.123(5) 3_655 ?
O12 Cs1 3.451(5) 3_645 ?
O12 Cs2 3.550(5) 3_655 ?
O13 Cs3 3.020(5) 2_554 ?
O13 Cs1 3.173(4) 3_645 ?
O14 Cs1 3.039(4) 2_564 ?
O14 Cs2 3.065(4) 3_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Cs1 O14 121.55(11) 1_455 2_565 ?
O7 Cs1 O6 48.23(11) 1_455 1_455 ?
O14 Cs1 O6 85.74(13) 2_565 1_455 ?
O7 Cs1 O13 87.61(11) 1_455 3_655 ?
O14 Cs1 O13 130.37(11) 2_565 3_655 ?
O6 Cs1 O13 135.54(11) 1_455 3_655 ?
O7 Cs1 O4 110.41(11) 1_455 4_456 ?
O14 Cs1 O4 90.13(11) 2_565 4_456 ?
O6 Cs1 O4 80.34(13) 1_455 4_456 ?
O13 Cs1 O4 118.24(12) 3_655 4_456 ?
O7 Cs1 O6 87.81(12) 1_455 4_456 ?
O14 Cs1 O6 134.61(11) 2_565 4_456 ?
O6 Cs1 O6 92.234(13) 1_455 4_456 ?
O13 Cs1 O6 79.37(12) 3_655 4_456 ?
O4 Cs1 O6 45.14(11) 4_456 4_456 ?
O7 Cs1 O11 97.29(12) 1_455 2_565 ?
O14 Cs1 O11 45.65(10) 2_565 2_565 ?
O6 Cs1 O11 94.71(13) 1_455 2_565 ?
O13 Cs1 O11 96.03(11) 3_655 2_565 ?
O4 Cs1 O11 135.76(11) 4_456 2_565 ?
O6 Cs1 O11 173.03(13) 4_456 2_565 ?
O7 Cs1 P4 108.84(8) 1_455 3_655 ?
O14 Cs1 P4 104.36(9) 2_565 3_655 ?
O6 Cs1 P4 155.37(9) 1_455 3_655 ?
O13 Cs1 P4 26.53(8) 3_655 3_655 ?
O4 Cs1 P4 121.33(9) 4_456 3_655 ?
O6 Cs1 P4 96.02(10) 4_456 3_655 ?
O11 Cs1 P4 77.86(8) 2_565 3_655 ?
O7 Cs1 O11 132.16(11) 1_455 3_655 ?
O14 Cs1 O11 94.57(12) 2_565 3_655 ?
O6 Cs1 O11 178.96(13) 1_455 3_655 ?
O13 Cs1 O11 44.72(11) 3_655 3_655 ?
O4 Cs1 O11 98.66(11) 4_456 3_655 ?
O6 Cs1 O11 86.84(12) 4_456 3_655 ?
O11 Cs1 O11 86.212(12) 2_565 3_655 ?
P4 Cs1 O11 25.41(7) 3_655 3_655 ?
O7 Cs1 O3 45.63(10) 1_455 1_455 ?
O14 Cs1 O3 102.99(11) 2_565 1_455 ?
O6 Cs1 O3 80.73(12) 1_455 1_455 ?
O13 Cs1 O3 67.75(12) 3_655 1_455 ?
O4 Cs1 O3 156.03(11) 4_456 1_455 ?
O6 Cs1 O3 121.45(11) 4_456 1_455 ?
O11 Cs1 O3 60.55(11) 2_565 1_455 ?
P4 Cs1 O3 75.15(9) 3_655 1_455 ?
O11 Cs1 O3 100.16(11) 3_655 1_455 ?
O7 Cs1 O10 165.97(11) 1_455 2_565 ?
O14 Cs1 O10 45.38(11) 2_565 2_565 ?
O6 Cs1 O10 125.30(11) 1_455 2_565 ?
O13 Cs1 O10 98.84(11) 3_655 2_565 ?
O4 Cs1 O10 77.58(12) 4_456 2_565 ?
O6 Cs1 O10 105.56(11) 4_456 2_565 ?
O11 Cs1 O10 69.77(11) 2_565 2_565 ?
P4 Cs1 O10 74.52(8) 3_655 2_565 ?
O11 Cs1 O10 54.59(11) 3_655 2_565 ?
O3 Cs1 O10 125.76(11) 1_455 2_565 ?
O7 Cs1 O12 103.45(11) 1_455 3_655 ?
O14 Cs1 O12 87.54(11) 2_565 3_655 ?
O6 Cs1 O12 137.71(12) 1_455 3_655 ?
O13 Cs1 O12 44.43(11) 3_655 3_655 ?
O4 Cs1 O12 141.42(12) 4_456 3_655 ?
O6 Cs1 O12 120.92(12) 4_456 3_655 ?
O11 Cs1 O12 53.30(10) 2_565 3_655 ?
P4 Cs1 O12 25.23(7) 3_655 3_655 ?
O11 Cs1 O12 43.32(10) 3_655 3_655 ?
O3 Cs1 O12 60.31(11) 1_455 3_655 ?
O10 Cs1 O12 73.58(11) 2_565 3_655 ?
O14 Cs2 O9 45.86(11) 3_645 3_645 ?
O14 Cs2 O7 140.71(10) 3_645 1_455 ?
O9 Cs2 O7 172.94(11) 3_645 1_455 ?
O14 Cs2 O8 96.50(10) 3_645 . ?
O9 Cs2 O8 51.14(11) 3_645 . ?
O7 Cs2 O8 121.90(10) 1_455 . ?
O14 Cs2 O2 171.37(11) 3_645 1_455 ?
O9 Cs2 O2 127.53(11) 3_645 1_455 ?
O7 Cs2 O2 46.29(10) 1_455 1_455 ?
O8 Cs2 O2 78.06(11) . 1_455 ?
O14 Cs2 O1 68.88(11) 3_645 3_645 ?
O9 Cs2 O1 86.00(13) 3_645 3_645 ?
O7 Cs2 O1 99.06(11) 1_455 3_645 ?
O8 Cs2 O1 114.34(14) . 3_645 ?
O2 Cs2 O1 107.05(11) 1_455 3_645 ?
O14 Cs2 O5 97.52(12) 3_645 1_455 ?
O9 Cs2 O5 141.09(11) 3_645 1_455 ?
O7 Cs2 O5 45.95(11) 1_455 1_455 ?
O8 Cs2 O5 164.27(13) . 1_455 ?
O2 Cs2 O5 87.15(12) 1_455 1_455 ?
O1 Cs2 O5 64.78(13) 3_645 1_455 ?
O14 Cs2 O6 81.61(11) 3_645 4_456 ?
O9 Cs2 O6 93.36(13) 3_645 4_456 ?
O7 Cs2 O6 86.05(11) 1_455 4_456 ?
O8 Cs2 O6 96.00(14) . 4_456 ?
O2 Cs2 O6 105.47(12) 1_455 4_456 ?
O1 Cs2 O6 139.14(12) 3_645 4_456 ?
O5 Cs2 O6 93.08(14) 1_455 4_456 ?
O14 Cs2 O12 43.24(10) 3_645 3_645 ?
O9 Cs2 O12 87.71(11) 3_645 3_645 ?
O7 Cs2 O12 99.28(10) 1_455 3_645 ?
O8 Cs2 O12 138.80(10) . 3_645 ?
O2 Cs2 O12 140.42(11) 1_455 3_645 ?
O1 Cs2 O12 51.84(11) 3_645 3_645 ?
O5 Cs2 O12 54.35(11) 1_455 3_645 ?
O6 Cs2 O12 87.31(12) 4_456 3_645 ?
O14 Cs2 O10 120.15(11) 3_645 . ?
O9 Cs2 O10 79.72(12) 3_645 . ?
O7 Cs2 O10 95.48(10) 1_455 . ?
O8 Cs2 O10 44.01(11) . . ?
O2 Cs2 O10 51.39(11) 1_455 . ?
O1 Cs2 O10 87.68(12) 3_645 . ?
O5 Cs2 O10 121.46(13) 1_455 . ?
O6 Cs2 O10 132.46(12) 4_456 . ?
O12 Cs2 O10 138.49(11) 3_645 . ?
O14 Cs2 O3 109.50(11) 3_645 3_645 ?
O9 Cs2 O3 104.13(13) 3_645 3_645 ?
O7 Cs2 O3 76.78(11) 1_455 3_645 ?
O8 Cs2 O3 96.15(12) . 3_645 ?
O2 Cs2 O3 64.93(11) 1_455 3_645 ?
O1 Cs2 O3 43.10(10) 3_645 3_645 ?
O5 Cs2 O3 72.41(13) 1_455 3_645 ?
O6 Cs2 O3 162.44(12) 4_456 3_645 ?
O12 Cs2 O3 91.84(10) 3_645 3_645 ?
O10 Cs2 O3 54.32(10) . 3_645 ?
O14 Cs2 P3 24.76(7) 3_645 3_645 ?
O9 Cs2 P3 23.29(8) 3_645 3_645 ?
O7 Cs2 P3 163.77(7) 1_455 3_645 ?
O8 Cs2 P3 74.21(8) . 3_645 ?
O2 Cs2 P3 147.22(8) 1_455 3_645 ?
O1 Cs2 P3 70.02(8) 3_645 3_645 ?
O5 Cs2 P3 117.87(9) 1_455 3_645 ?
O6 Cs2 P3 94.59(8) 4_456 3_645 ?
O12 Cs2 P3 64.59(7) 3_645 3_645 ?
O10 Cs2 P3 96.00(8) . 3_645 ?
O3 Cs2 P3 100.88(8) 3_645 3_645 ?
O4 Cs3 O13 122.60(12) 4_456 2 ?
O4 Cs3 O12 135.51(12) 4_456 3_645 ?
O13 Cs3 O12 99.96(12) 2 3_645 ?
O4 Cs3 O10 121.39(13) 4_456 2 ?
O13 Cs3 O10 70.22(12) 2 2 ?
O12 Cs3 O10 82.56(14) 3_645 2 ?
O4 Cs3 O5 109.60(12) 4_456 1_455 ?
O13 Cs3 O5 86.53(12) 2 1_455 ?
O12 Cs3 O5 56.71(12) 3_645 1_455 ?
O10 Cs3 O5 128.86(13) 2 1_455 ?
O4 Cs3 O6 77.64(11) 4_456 1_455 ?
O13 Cs3 O6 79.53(11) 2 1_455 ?
O12 Cs3 O6 100.10(11) 3_645 1_455 ?
O10 Cs3 O6 149.59(11) 2 1_455 ?
O5 Cs3 O6 43.43(11) 1_455 1_455 ?
O4 Cs3 O11 160.19(12) 4_456 2 ?
O13 Cs3 O11 44.99(11) 2 2 ?
O12 Cs3 O11 55.27(11) 3_645 2 ?
O10 Cs3 O11 72.49(12) 2 2 ?
O5 Cs3 O11 59.57(11) 1_455 2 ?
O6 Cs3 O11 84.13(11) 1_455 2 ?
O4 Cs3 O6 44.31(11) 4_456 4_456 ?
O13 Cs3 O6 161.13(11) 2 4_456 ?
O12 Cs3 O6 91.21(12) 3_645 4_456 ?
O10 Cs3 O6 126.78(11) 2 4_456 ?
O5 Cs3 O6 87.01(12) 1_455 4_456 ?
O6 Cs3 O6 83.592(12) 1_455 4_456 ?
O11 Cs3 O6 141.29(11) 2 4_456 ?
O4 Cs3 O11 116.77(12) 4_456 3_645 ?
O13 Cs3 O11 113.83(11) 2 3_645 ?
O12 Cs3 O11 43.64(11) 3_645 3_645 ?
O10 Cs3 O11 55.25(12) 2 3_645 ?
O5 Cs3 O11 99.45(11) 1_455 3_645 ?
O6 Cs3 O11 141.49(11) 1_455 3_645 ?
O11 Cs3 O11 82.465(12) 2 3_645 ?
O6 Cs3 O11 84.73(11) 4_456 3_645 ?
O4 Cs3 O3 71.50(11) 4_456 4_456 ?
O13 Cs3 O3 120.39(11) 2 4_456 ?
O12 Cs3 O3 99.35(11) 3_645 4_456 ?
O10 Cs3 O3 57.31(11) 2 4_456 ?
O5 Cs3 O3 148.38(12) 1_455 4_456 ?
O6 Cs3 O3 148.93(10) 1_455 4_456 ?
O11 Cs3 O3 126.94(11) 2 4_456 ?
O6 Cs3 O3 71.99(10) 4_456 4_456 ?
O11 Cs3 O3 56.30(10) 3_645 4_456 ?
O4 Cs3 P4 146.15(9) 4_456 2 ?
O13 Cs3 P4 23.55(8) 2 2 ?
O12 Cs3 P4 77.01(9) 3_645 2 ?
O10 Cs3 P4 62.11(9) 2 2 ?
O5 Cs3 P4 78.32(9) 1_455 2 ?
O6 Cs3 P4 88.75(8) 1_455 2 ?
O11 Cs3 P4 23.85(7) 2 2 ?
O6 Cs3 P4 164.64(8) 4_456 2 ?
O11 Cs3 P4 93.16(8) 3_645 2 ?
O3 Cs3 P4 119.21(7) 4_456 2 ?
O4 Cs3 P2 23.63(9) 4_456 4_456 ?
O13 Cs3 P2 146.16(8) 2 4_456 ?
O12 Cs3 P2 113.25(9) 3_645 4_456 ?
O10 Cs3 P2 118.90(9) 2 4_456 ?
O5 Cs3 P2 105.88(9) 1_455 4_456 ?
O6 Cs3 P2 88.15(8) 1_455 4_456 ?
O11 Cs3 P2 164.39(7) 2 4_456 ?
O6 Cs3 P2 23.57(8) 4_456 4_456 ?
O11 Cs3 P2 95.40(8) 3_645 4_456 ?
O3 Cs3 P2 61.88(7) 4_456 4_456 ?
P4 Cs3 P2 169.67(3) 2 4_456 ?
O9 Bi1 O8 75.38(17) 3_645 . ?
O9 Bi1 O4 81.84(19) 3_645 . ?
O8 Bi1 O4 83.51(18) . . ?
O9 Bi1 O13 96.51(19) 3_645 . ?
O8 Bi1 O13 79.18(17) . . ?
O4 Bi1 O13 162.44(16) . . ?
O9 Bi1 O1 154.35(17) 3_645 . ?
O8 Bi1 O1 88.92(18) . . ?
O4 Bi1 O1 76.24(16) . . ?
O13 Bi1 O1 100.37(15) . . ?
O9 Bi1 O2 82.62(15) 3_645 3_745 ?
O8 Bi1 O2 153.27(17) . 3_745 ?
O4 Bi1 O2 108.45(16) . 3_745 ?
O13 Bi1 O2 88.56(14) . 3_745 ?
O1 Bi1 O2 116.80(16) . 3_745 ?
O9 Bi1 Ca1 165.17(12) 3_645 1_655 ?
O8 Bi1 Ca1 114.08(12) . 1_655 ?
O4 Bi1 Ca1 109.88(12) . 1_655 ?
O13 Bi1 Ca1 75.08(11) . 1_655 ?
O1 Bi1 Ca1 40.44(12) . 1_655 ?
O2 Bi1 Ca1 84.94(9) 3_745 1_655 ?
O9 Bi1 Cs2 37.82(12) 3_645 . ?
O8 Bi1 Cs2 38.76(12) . . ?
O4 Bi1 Cs2 73.39(12) . . ?
O13 Bi1 Cs2 94.53(11) . . ?
O1 Bi1 Cs2 120.98(13) . . ?
O2 Bi1 Cs2 120.38(10) 3_745 . ?
Ca1 Bi1 Cs2 152.837(14) 1_655 . ?
O9 Bi1 Cs1 48.18(15) 3_645 4_556 ?
O8 Bi1 Cs1 88.99(12) . 4_556 ?
O4 Bi1 Cs1 36.75(12) . 4_556 ?
O13 Bi1 Cs1 144.67(11) . 4_556 ?
O1 Bi1 Cs1 112.68(11) . 4_556 ?
O2 Bi1 Cs1 87.49(10) 3_745 4_556 ?
Ca1 Bi1 Cs1 139.291(14) 1_655 4_556 ?
Cs2 Bi1 Cs1 58.245(7) . 4_556 ?
O11 Ca1 O12 81.71(17) 4_455 1_455 ?
O11 Ca1 O5 93.20(19) 4_455 3_655 ?
O12 Ca1 O5 82.13(19) 1_455 3_655 ?
O11 Ca1 O3 93.13(17) 4_455 3_645 ?
O12 Ca1 O3 92.72(17) 1_455 3_645 ?
O5 Ca1 O3 171.18(19) 3_655 3_645 ?
O11 Ca1 O10 81.71(18) 4_455 . ?
O12 Ca1 O10 163.17(17) 1_455 . ?
O5 Ca1 O10 101.65(19) 3_655 . ?
O3 Ca1 O10 85.34(18) 3_645 . ?
O11 Ca1 O2 151.06(16) 4_455 1_455 ?
O12 Ca1 O2 124.82(16) 1_455 1_455 ?
O5 Ca1 O2 80.80(18) 3_655 1_455 ?
O3 Ca1 O2 96.49(15) 3_645 1_455 ?
O10 Ca1 O2 71.99(15) . 1_455 ?
O11 Ca1 O1 153.01(16) 4_455 1_455 ?
O12 Ca1 O1 71.41(15) 1_455 1_455 ?
O5 Ca1 O1 85.55(17) 3_655 1_455 ?
O3 Ca1 O1 86.02(15) 3_645 1_455 ?
O10 Ca1 O1 124.99(16) . 1_455 ?
O2 Ca1 O1 55.28(14) 1_455 1_455 ?
O11 Ca1 P1 174.77(13) 4_455 1_455 ?
O12 Ca1 P1 98.05(12) 1_455 1_455 ?
O5 Ca1 P1 81.60(15) 3_655 1_455 ?
O3 Ca1 P1 92.10(12) 3_645 1_455 ?
O10 Ca1 P1 98.72(12) . 1_455 ?
O2 Ca1 P1 27.60(10) 1_455 1_455 ?
O1 Ca1 P1 27.69(10) 1_455 1_455 ?
O11 Ca1 Bi1 124.87(13) 4_455 1_455 ?
O12 Ca1 Bi1 60.01(12) 1_455 1_455 ?
O5 Ca1 Bi1 116.52(14) 3_655 1_455 ?
O3 Ca1 Bi1 54.68(12) 3_645 1_455 ?
O10 Ca1 Bi1 129.47(14) . 1_455 ?
O2 Ca1 Bi1 82.33(10) 1_455 1_455 ?
O1 Ca1 Bi1 37.08(9) 1_455 1_455 ?
P1 Ca1 Bi1 58.71(3) 1_455 1_455 ?
O11 Ca1 Cs1 53.66(13) 4_455 3_545 ?
O12 Ca1 Cs1 55.05(12) 1_455 3_545 ?
O5 Ca1 Cs1 126.18(15) 3_655 3_545 ?
O3 Ca1 Cs1 54.28(12) 3_645 3_545 ?
O10 Ca1 Cs1 111.70(11) . 3_545 ?
O2 Ca1 Cs1 148.67(10) 1_455 3_545 ?
O1 Ca1 Cs1 106.29(9) 1_455 3_545 ?
P1 Ca1 Cs1 130.27(4) 1_455 3_545 ?
Bi1 Ca1 Cs1 71.609(15) 1_455 3_545 ?
O11 Ca1 Cs1 54.10(12) 4_455 2_564 ?
O12 Ca1 Cs1 115.84(12) 1_455 2_564 ?
O5 Ca1 Cs1 60.10(14) 3_655 2_564 ?
O3 Ca1 Cs1 128.72(12) 3_645 2_564 ?
O10 Ca1 Cs1 54.98(13) . 2_564 ?
O2 Ca1 Cs1 99.58(10) 1_455 2_564 ?
O1 Ca1 Cs1 141.67(9) 1_455 2_564 ?
P1 Ca1 Cs1 121.99(3) 1_455 2_564 ?
Bi1 Ca1 Cs1 175.54(3) 1_455 2_564 ?
Cs1 Ca1 Cs1 107.71(2) 3_545 2_564 ?
O11 Ca1 Cs3 54.86(13) 4_455 3 ?
O12 Ca1 Cs3 46.55(12) 1_455 3 ?
O5 Ca1 Cs3 53.55(15) 3_655 3 ?
O3 Ca1 Cs3 126.73(12) 3_645 3 ?
O10 Ca1 Cs3 123.23(13) . 3 ?
O2 Ca1 Cs3 132.92(10) 1_455 3 ?
O1 Ca1 Cs3 104.94(10) 1_455 3 ?
P1 Ca1 Cs3 121.43(4) 1_455 3 ?
Bi1 Ca1 Cs3 106.27(2) 1_455 3 ?
Cs1 Ca1 Cs3 72.799(16) 3_545 3 ?
Cs1 Ca1 Cs3 69.467(16) 2_564 3 ?
O1 P1 O3 116.7(3) . . ?
O1 P1 O2 107.4(3) . . ?
O3 P1 O2 112.9(3) . . ?
O1 P1 O7 107.9(2) . . ?
O3 P1 O7 107.6(2) . . ?
O2 P1 O7 103.6(2) . . ?
O1 P1 Ca1 56.8(2) . 1_655 ?
O3 P1 Ca1 132.98(19) . 1_655 ?
O2 P1 Ca1 50.62(19) . 1_655 ?
O7 P1 Ca1 118.80(17) . 1_655 ?
O1 P1 Cs1 151.1(2) . 1_655 ?
O3 P1 Cs1 64.62(19) . 1_655 ?
O2 P1 Cs1 97.19(19) . 1_655 ?
O7 P1 Cs1 50.10(15) . 1_655 ?
Ca1 P1 Cs1 145.72(5) 1_655 1_655 ?
O1 P1 Cs2 109.7(2) . 1_655 ?
O3 P1 Cs2 133.5(2) . 1_655 ?
O2 P1 Cs2 52.81(17) . 1_655 ?
O7 P1 Cs2 52.03(16) . 1_655 ?
Ca1 P1 Cs2 76.57(3) 1_655 1_655 ?
Cs1 P1 Cs2 73.32(3) 1_655 1_655 ?
O1 P1 Cs2 52.17(18) . 3_655 ?
O3 P1 Cs2 69.52(19) . 3_655 ?
O2 P1 Cs2 108.47(18) . 3_655 ?
O7 P1 Cs2 146.16(16) . 3_655 ?
Ca1 P1 Cs2 75.92(3) 1_655 3_655 ?
Cs1 P1 Cs2 133.27(4) 1_655 3_655 ?
Cs2 P1 Cs2 152.45(4) 1_655 3_655 ?
O1 P1 Cs3 83.0(2) . 4_556 ?
O3 P1 Cs3 60.5(2) . 4_556 ?
O2 P1 Cs3 169.7(2) . 4_556 ?
O7 P1 Cs3 72.78(16) . 4_556 ?
Ca1 P1 Cs3 139.68(4) 1_655 4_556 ?
Cs1 P1 Cs3 72.97(2) 1_655 4_556 ?
Cs2 P1 Cs3 124.78(3) 1_655 4_556 ?
Cs2 P1 Cs3 77.33(3) 3_655 4_556 ?
O6 P2 O5 116.0(3) . . ?
O6 P2 O4 112.0(3) . . ?
O5 P2 O4 111.5(3) . . ?
O6 P2 O7 106.4(2) . . ?
O5 P2 O7 104.3(3) . . ?
O4 P2 O7 105.7(2) . . ?
O6 P2 Cs1 72.08(19) . 4_556 ?
O5 P2 Cs1 84.8(2) . 4_556 ?
O4 P2 Cs1 66.81(18) . 4_556 ?
O7 P2 Cs1 170.10(16) . 4_556 ?
O6 P2 Cs3 70.9(2) . 4_556 ?
O5 P2 Cs3 162.0(2) . 4_556 ?
O4 P2 Cs3 51.92(18) . 4_556 ?
O7 P2 Cs3 88.49(16) . 4_556 ?
Cs1 P2 Cs3 81.76(3) 4_556 4_556 ?
O6 P2 Cs1 54.81(18) . 1_655 ?
O5 P2 Cs1 118.4(2) . 1_655 ?
O4 P2 Cs1 128.8(2) . 1_655 ?
O7 P2 Cs1 52.08(15) . 1_655 ?
Cs1 P2 Cs1 126.84(4) 4_556 1_655 ?
Cs3 P2 Cs1 79.36(3) 4_556 1_655 ?
O6 P2 Cs2 113.7(2) . 1_655 ?
O5 P2 Cs2 54.9(2) . 1_655 ?
O4 P2 Cs2 133.21(17) . 1_655 ?
O7 P2 Cs2 51.47(16) . 1_655 ?
Cs1 P2 Cs2 138.34(4) 4_556 1_655 ?
Cs3 P2 Cs2 139.88(4) 4_556 1_655 ?
Cs1 P2 Cs2 73.67(3) 1_655 1_655 ?
O6 P2 Cs3 59.7(2) . 1_655 ?
O5 P2 Cs3 58.0(2) . 1_655 ?
O4 P2 Cs3 146.73(19) . 1_655 ?
O7 P2 Cs3 107.52(15) . 1_655 ?
Cs1 P2 Cs3 80.38(3) 4_556 1_655 ?
Cs3 P2 Cs3 130.46(4) 4_556 1_655 ?
Cs1 P2 Cs3 75.48(3) 1_655 1_655 ?
Cs2 P2 Cs3 70.07(3) 1_655 1_655 ?
O10 P3 O9 113.5(3) . . ?
O10 P3 O8 116.4(3) . . ?
O9 P3 O8 108.5(3) . . ?
O10 P3 O14 110.1(3) . . ?
O9 P3 O14 100.3(2) . . ?
O8 P3 O14 106.5(2) . . ?
O10 P3 Cs1 71.7(2) . 2_564 ?
O9 P3 Cs1 79.4(2) . 2_564 ?
O8 P3 Cs1 162.91(17) . 2_564 ?
O14 P3 Cs1 56.55(16) . 2_564 ?
O10 P3 Cs2 146.7(2) . 3_655 ?
O9 P3 Cs2 53.80(18) . 3_655 ?
O8 P3 Cs2 96.7(2) . 3_655 ?
O14 P3 Cs2 52.91(16) . 3_655 ?
Cs1 P3 Cs2 75.40(3) 2_564 3_655 ?
O10 P3 Cs2 71.3(2) . . ?
O9 P3 Cs2 103.78(19) . . ?
O8 P3 Cs2 53.64(18) . . ?
O14 P3 Cs2 152.81(16) . . ?
Cs1 P3 Cs2 140.69(4) 2_564 . ?
Cs2 P3 Cs2 138.22(4) 3_655 . ?
O10 P3 Cs3 45.88(19) . 2_554 ?
O9 P3 Cs3 156.6(2) . 2_554 ?
O8 P3 Cs3 93.1(2) . 2_554 ?
O14 P3 Cs3 81.48(16) . 2_554 ?
Cs1 P3 Cs3 82.41(3) 2_564 2_554 ?
Cs2 P3 Cs3 134.27(3) 3_655 2_554 ?
Cs2 P3 Cs3 81.41(3) . 2_554 ?
O12 P4 O11 115.3(3) . . ?
O12 P4 O13 112.5(3) . . ?
O11 P4 O13 112.3(3) . . ?
O12 P4 O14 104.4(3) . . ?
O11 P4 O14 106.6(3) . . ?
O13 P4 O14 104.6(2) . . ?
O12 P4 Cs1 78.9(2) . 3_645 ?
O11 P4 Cs1 77.4(2) . 3_645 ?
O13 P4 Cs1 68.02(17) . 3_645 ?
O14 P4 Cs1 172.57(16) . 3_645 ?
O12 P4 Cs3 161.6(2) . 2_554 ?
O11 P4 Cs3 69.0(2) . 2_554 ?
O13 P4 Cs3 52.14(19) . 2_554 ?
O14 P4 Cs3 90.65(16) . 2_554 ?
Cs1 P4 Cs3 84.97(3) 3_645 2_554 ?
O12 P4 Cs3 50.63(19) . 3_655 ?
O11 P4 Cs3 68.8(2) . 3_655 ?
O13 P4 Cs3 153.39(19) . 3_655 ?
O14 P4 Cs3 100.18(15) . 3_655 ?
Cs1 P4 Cs3 87.07(3) 3_645 3_655 ?
Cs3 P4 Cs3 137.81(4) 2_554 3_655 ?
O12 P4 Cs1 115.5(2) . 2_564 ?
O11 P4 Cs1 59.9(2) . 2_564 ?
O13 P4 Cs1 129.05(19) . 2_564 ?
O14 P4 Cs1 47.63(16) . 2_564 ?
Cs1 P4 Cs1 137.17(4) 3_645 2_564 ?
Cs3 P4 Cs1 82.51(3) 2_554 2_564 ?
Cs3 P4 Cs1 75.70(3) 3_655 2_564 ?
O12 P4 Cs2 60.88(19) . 3_655 ?
O11 P4 Cs2 119.9(2) . 3_655 ?
O13 P4 Cs2 124.29(18) . 3_655 ?
O14 P4 Cs2 43.80(16) . 3_655 ?
Cs1 P4 Cs2 139.73(4) 3_645 3_655 ?
Cs3 P4 Cs2 134.29(4) 2_554 3_655 ?
Cs3 P4 Cs2 69.45(3) 3_655 3_655 ?
Cs1 P4 Cs2 69.34(2) 2_564 3_655 ?
P1 O1 Bi1 128.9(3) . . ?
P1 O1 Ca1 95.5(2) . 1_655 ?
Bi1 O1 Ca1 102.48(16) . 1_655 ?
P1 O1 Cs2 106.2(2) . 3_655 ?
Bi1 O1 Cs2 118.63(17) . 3_655 ?
Ca1 O1 Cs2 96.16(13) 1_655 3_655 ?
P1 O2 Ca1 101.8(2) . 1_655 ?
P1 O2 Bi1 115.2(2) . 3_755 ?
Ca1 O2 Bi1 111.81(16) 1_655 3_755 ?
P1 O2 Cs2 104.6(2) . 1_655 ?
Ca1 O2 Cs2 100.43(14) 1_655 1_655 ?
Bi1 O2 Cs2 120.52(17) 3_755 1_655 ?
P1 O3 Ca1 171.6(3) . 3_655 ?
P1 O3 Cs1 91.9(2) . 1_655 ?
Ca1 O3 Cs1 90.94(14) 3_655 1_655 ?
P1 O3 Cs2 87.8(2) . 3_655 ?
Ca1 O3 Cs2 90.58(13) 3_655 3_655 ?
Cs1 O3 Cs2 170.76(16) 1_655 3_655 ?
P1 O3 Cs3 98.7(2) . 4_556 ?
Ca1 O3 Cs3 89.38(14) 3_655 4_556 ?
Cs1 O3 Cs3 83.82(11) 1_655 4_556 ?
Cs2 O3 Cs3 87.08(11) 3_655 4_556 ?
P2 O4 Bi1 114.9(2) . . ?
P2 O4 Cs3 104.4(2) . 4_556 ?
Bi1 O4 Cs3 126.37(19) . 4_556 ?
P2 O4 Cs1 86.97(19) . 4_556 ?
Bi1 O4 Cs1 117.86(18) . 4_556 ?
Cs3 O4 Cs1 98.41(12) 4_556 4_556 ?
P2 O5 Ca1 152.5(4) . 3_645 ?
P2 O5 Cs2 102.8(2) . 1_655 ?
Ca1 O5 Cs2 102.69(17) 3_645 1_655 ?
P2 O5 Cs3 100.0(3) . 1_655 ?
Ca1 O5 Cs3 92.42(17) 3_645 1_655 ?
Cs2 O5 Cs3 84.95(14) 1_655 1_655 ?
P2 O5 Cs1 71.0(2) . 4_556 ?
Ca1 O5 Cs1 85.71(15) 3_645 4_556 ?
Cs2 O5 Cs1 167.67(19) 1_655 4_556 ?
Cs3 O5 Cs1 85.71(13) 1_655 4_556 ?
P2 O6 Cs1 102.2(2) . 1_655 ?
P2 O6 Cs1 82.74(19) . 4_556 ?
Cs1 O6 Cs1 174.51(17) 1_655 4_556 ?
P2 O6 Cs2 163.6(3) . 4_556 ?
Cs1 O6 Cs2 88.58(11) 1_655 4_556 ?
Cs1 O6 Cs2 86.09(11) 4_556 4_556 ?
P2 O6 Cs3 98.5(2) . 1_655 ?
Cs1 O6 Cs3 91.38(13) 1_655 1_655 ?
Cs1 O6 Cs3 90.26(12) 4_556 1_655 ?
Cs2 O6 Cs3 93.59(12) 4_556 1_655 ?
P2 O6 Cs3 85.5(2) . 4_556 ?
Cs1 O6 Cs3 91.22(12) 1_655 4_556 ?
Cs1 O6 Cs3 86.73(12) 4_556 4_556 ?
Cs2 O6 Cs3 81.82(12) 4_556 4_556 ?
Cs3 O6 Cs3 174.66(15) 1_655 4_556 ?
P1 O7 P2 137.5(3) . . ?
P1 O7 Cs1 105.54(18) . 1_655 ?
P2 O7 Cs1 102.52(19) . 1_655 ?
P1 O7 Cs2 103.81(19) . 1_655 ?
P2 O7 Cs2 104.28(19) . 1_655 ?
Cs1 O7 Cs2 95.88(12) 1_655 1_655 ?
P3 O8 Bi1 131.1(3) . . ?
P3 O8 Cs2 103.2(2) . . ?
Bi1 O8 Cs2 114.83(17) . . ?
P3 O9 Bi1 140.4(3) . 3_655 ?
P3 O9 Cs2 102.9(2) . 3_655 ?
Bi1 O9 Cs2 116.70(17) 3_655 3_655 ?
P3 O9 Cs1 76.4(2) . 2_564 ?
Bi1 O9 Cs1 105.42(18) 3_655 2_564 ?
Cs2 O9 Cs1 83.19(11) 3_655 2_564 ?
P3 O10 Ca1 143.8(3) . . ?
P3 O10 Cs3 114.4(2) . 2_554 ?
Ca1 O10 Cs3 101.73(15) . 2_554 ?
P3 O10 Cs1 84.3(2) . 2_564 ?
Ca1 O10 Cs1 88.95(16) . 2_564 ?
Cs3 O10 Cs1 98.95(14) 2_554 2_564 ?
P3 O10 Cs2 85.8(2) . . ?
Ca1 O10 Cs2 91.15(15) . . ?
Cs3 O10 Cs2 97.45(14) 2_554 . ?
Cs1 O10 Cs2 163.23(15) 2_564 . ?
P4 O11 Ca1 169.5(3) . 4 ?
P4 O11 Cs1 97.7(2) . 2_564 ?
Ca1 O11 Cs1 92.81(14) 4 2_564 ?
P4 O11 Cs1 77.21(19) . 3_645 ?
Ca1 O11 Cs1 92.36(15) 4 3_645 ?
Cs1 O11 Cs1 174.12(14) 2_564 3_645 ?
P4 O11 Cs3 87.1(2) . 2_554 ?
Ca1 O11 Cs3 91.81(14) 4 2_554 ?
Cs1 O11 Cs3 93.85(12) 2_564 2_554 ?
Cs1 O11 Cs3 88.78(12) 3_645 2_554 ?
P4 O11 Cs3 88.3(2) . 3_655 ?
Ca1 O11 Cs3 92.91(15) 4 3_655 ?
Cs1 O11 Cs3 85.62(11) 2_564 3_655 ?
Cs1 O11 Cs3 91.33(12) 3_645 3_655 ?
Cs3 O11 Cs3 175.27(14) 2_554 3_655 ?
P4 O12 Ca1 150.8(3) . 1_655 ?
P4 O12 Cs3 107.6(2) . 3_655 ?
Ca1 O12 Cs3 100.08(15) 1_655 3_655 ?
P4 O12 Cs1 75.9(2) . 3_645 ?
Ca1 O12 Cs1 90.76(14) 1_655 3_645 ?
Cs3 O12 Cs1 99.23(13) 3_655 3_645 ?
P4 O12 Cs2 97.5(2) . 3_655 ?
Ca1 O12 Cs2 94.40(15) 1_655 3_655 ?
Cs3 O12 Cs2 84.35(12) 3_655 3_655 ?
Cs1 O12 Cs2 173.13(14) 3_645 3_655 ?
P4 O13 Bi1 113.4(2) . . ?
P4 O13 Cs3 104.3(2) . 2_554 ?
Bi1 O13 Cs3 124.12(17) . 2_554 ?
P4 O13 Cs1 85.45(19) . 3_645 ?
Bi1 O13 Cs1 120.13(17) . 3_645 ?
Cs3 O13 Cs1 101.94(13) 2_554 3_645 ?
P3 O14 P4 131.6(3) . . ?
P3 O14 Cs1 97.23(18) . 2_564 ?
P4 O14 Cs1 108.92(19) . 2_564 ?
P3 O14 Cs2 102.33(19) . 3_655 ?
P4 O14 Cs2 114.5(2) . 3_655 ?
Cs1 O14 Cs2 95.18(11) 2_564 3_655 ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_101sa
_database_code_depnum_ccdc_archive 'CCDC 1583577'
_audit_update_record             
;
2017-11-02 deposited with the CCDC.
2018-01-08 downloaded from the CCDC.
;

_audit_creation_date             2008-02-13T14:10:04-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Bi O14 P4 Pb, 3(Cs)'
_chemical_formula_sum            'Bi Cs3 O14 P4 Pb'
_chemical_formula_weight         1162.78
_chemical_absolute_configuration ad

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.42430(10)
_cell_length_b                   9.72610(10)
_cell_length_c                   17.52910(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1606.75(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    28551
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      32.00

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    4.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2008
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    28.563
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.2174
_exptl_absorpt_correction_T_max  0.3425

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'fine focus sealed tube'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  XCalibur-3
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_number            28551
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         32
_diffrn_reflns_theta_full        32
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             5536
_reflns_number_gt                5235
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction Ltd., 2005)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction Ltd., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0246P)²+2.4540P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   undef
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.00169(5)
_refine_ls_number_reflns         5536
_refine_ls_number_parameters     209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0457
_refine_ls_wR_factor_gt          0.0445
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(3)
_refine_diff_density_max         2.233
_refine_diff_density_min         -1.57
_refine_diff_density_rms         0.26

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.368 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.10796(4) 0.49466(4) 0.498867(18) 0.01948(7) Uani 1 1 d . . .
Cs2 Cs 0.26279(4) 0.15021(4) 0.33278(2) 0.02978(8) Uani 1 1 d . . .
Cs3 Cs 0.09721(4) 0.00268(4) 0.58219(2) 0.02932(9) Uani 1 1 d . . .
Bi1 Bi 0.732104(17) 0.143512(18) 0.257008(9) 0.01048(4) Uani 1 1 d . . .
Pb1 Pb 0.063661(19) 0.31885(2) 0.129076(11) 0.01434(4) Uani 1 1 d . . .
P1 P 0.97027(14) 0.41774(15) 0.30476(7) 0.0140(2) Uani 1 1 d . . .
P2 P 0.87971(14) 0.20448(14) 0.41927(7) 0.0140(2) Uani 1 1 d . . .
P3 P 0.47486(12) 0.35913(15) 0.18855(7) 0.0128(2) Uani 1 1 d . . .
P4 P 0.69144(13) 0.27470(15) 0.07602(7) 0.0132(2) Uani 1 1 d . . .
O1 O 0.8717(4) 0.3510(5) 0.2455(2) 0.0243(9) Uani 1 1 d . . .
O2 O 1.1200(4) 0.4217(5) 0.2733(2) 0.0243(9) Uani 1 1 d . . .
O3 O 0.9170(6) 0.5501(5) 0.3358(3) 0.0411(12) Uani 1 1 d . . .
O4 O 0.7332(4) 0.2187(4) 0.3825(2) 0.0219(8) Uani 1 1 d . . .
O5 O 0.9403(6) 0.0662(5) 0.4003(4) 0.0577(18) Uani 1 1 d . . .
O6 O 0.8829(6) 0.2433(6) 0.5009(2) 0.0386(12) Uani 1 1 d . . .
O7 O 0.9837(4) 0.3108(5) 0.3752(2) 0.0266(9) Uani 1 1 d . . .
O8 O 0.5464(4) 0.2797(5) 0.2520(2) 0.0265(9) Uani 1 1 d . . .
O9 O 0.4495(5) 0.5050(5) 0.2159(3) 0.0355(11) Uani 1 1 d . . .
O10 O 0.3481(4) 0.2925(6) 0.1538(3) 0.0385(13) Uani 1 1 d . . .
O11 O 0.6161(5) 0.2477(6) 0.0024(2) 0.0323(10) Uani 1 1 d . . .
O12 O 0.8308(4) 0.3464(6) 0.0680(2) 0.0303(10) Uani 1 1 d . . .
O13 O 0.6999(5) 0.1462(4) 0.1254(2) 0.0276(9) Uani 1 1 d . . .
O14 O 0.5928(4) 0.3823(4) 0.1235(2) 0.0177(7) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O7 3.044(4) 1_455 ?
Cs1 O14 3.128(4) 2_565 ?
Cs1 O4 3.166(4) 4_456 ?
Cs1 O13 3.193(4) 3_655 ?
Cs1 O6 3.237(5) 1_455 ?
Cs1 O11 3.277(5) 2_565 ?
Cs1 O3 3.420(5) 1_455 ?
Cs1 O10 3.440(6) 2_565 ?
Cs1 O6 3.474(5) 4_456 ?
Cs1 P2 3.5170(14) 4_456 ?
Cs1 P4 3.5659(13) 3_655 ?
Cs1 O11 3.581(5) 3_655 ?
Cs2 O14 3.038(4) 3_645 ?
Cs2 O2 3.142(4) 1_455 ?
Cs2 O7 3.148(4) 1_455 ?
Cs2 O9 3.174(5) 3_645 ?
Cs2 O8 3.276(4) . ?
Cs2 O6 3.294(5) 4_456 ?
Cs2 O5 3.362(6) 1_455 ?
Cs2 O1 3.458(4) 3_645 ?
Cs2 O10 3.522(5) . ?
Cs2 O12 3.541(5) 3_645 ?
Cs2 O3 3.543(5) 3_645 ?
Cs2 P3 3.7773(14) 3_645 ?
Cs3 O4 3.060(4) 4_456 ?
Cs3 O12 3.114(4) 3_645 ?
Cs3 O10 3.176(6) 2 ?
Cs3 O13 3.242(5) 2 ?
Cs3 O3 3.378(6) 4_456 ?
Cs3 O6 3.404(6) 1_455 ?
Cs3 O11 3.453(5) 2 ?
Cs3 O5 3.569(7) 1_455 ?
Cs3 O8 3.628(5) 4_456 ?
Cs3 O9 3.804(5) 4_456 ?
Cs3 P4 3.8328(14) 2 ?
Cs3 P2 3.8989(14) 4_456 ?
Bi1 O8 2.197(3) . ?
Bi1 O9 2.229(4) 3_645 ?
Bi1 O4 2.319(4) . ?
Bi1 O13 2.328(4) . ?
Bi1 O1 2.418(4) . ?
Bi1 O2 2.623(4) 3_745 ?
Bi1 Cs3 4.5874(4) 2_554 ?
Bi1 Cs3 4.6263(4) 4_556 ?
Bi1 Cs1 4.6354(4) 4_556 ?
Pb1 O11 2.444(4) 4_455 ?
Pb1 O12 2.456(4) 1_455 ?
Pb1 O5 2.460(5) 3_655 ?
Pb1 O3 2.691(5) 3_645 ?
Pb1 O10 2.728(4) . ?
Pb1 O1 2.746(4) 1_455 ?
Pb1 Cs1 4.1938(4) 3_545 ?
Pb1 Cs1 4.2517(4) 2_564 ?
Pb1 Cs3 4.3829(4) 3 ?
Pb1 Cs2 4.5054(5) 3 ?
Pb1 Cs3 4.5464(5) 2_554 ?
P1 O3 1.485(5) . ?
P1 O2 1.515(4) . ?
P1 O1 1.537(4) . ?
P1 O7 1.620(4) . ?
P1 Cs1 3.7176(13) 1_655 ?
P1 Cs2 3.8225(15) 1_655 ?
P1 Cs2 3.9685(14) 3_655 ?
P1 Cs3 4.1094(14) 4_556 ?
P2 O6 1.481(5) . ?
P2 O5 1.499(5) . ?
P2 O4 1.530(4) . ?
P2 O7 1.621(4) . ?
P2 Cs1 3.5170(14) 4_556 ?
P2 Cs1 3.8131(14) 1_655 ?
P2 Cs3 3.8989(14) 4_556 ?
P2 Cs2 3.9511(13) 1_655 ?
P2 Cs3 4.0261(14) 1_655 ?
P3 O10 1.489(4) . ?
P3 O8 1.512(4) . ?
P3 O9 1.517(5) . ?
P3 O14 1.608(4) . ?
P3 Cs1 3.6995(13) 2_564 ?
P3 Cs2 3.7773(14) 3_655 ?
P3 Cs3 4.0398(15) 2_554 ?
P4 O12 1.494(4) . ?
P4 O11 1.497(4) . ?
P4 O13 1.522(4) . ?
P4 O14 1.629(4) . ?
P4 Cs1 3.5659(13) 3_645 ?
P4 Cs3 3.8328(14) 2_554 ?
P4 Cs1 3.8500(13) 2_564 ?
P4 Cs2 4.0100(14) 3_655 ?
P4 Cs3 4.0713(14) 3_655 ?
O1 Pb1 2.746(4) 1_655 ?
O1 Cs2 3.458(4) 3_655 ?
O2 Bi1 2.623(4) 3_755 ?
O2 Cs2 3.142(4) 1_655 ?
O3 Pb1 2.691(5) 3_655 ?
O3 Cs3 3.378(6) 4_556 ?
O3 Cs1 3.420(5) 1_655 ?
O3 Cs2 3.543(5) 3_655 ?
O4 Cs3 3.060(4) 4_556 ?
O4 Cs1 3.166(4) 4_556 ?
O5 Pb1 2.460(5) 3_645 ?
O5 Cs2 3.362(6) 1_655 ?
O5 Cs3 3.569(7) 1_655 ?
O5 Cs1 3.645(6) 4_556 ?
O6 Cs1 3.237(5) 1_655 ?
O6 Cs2 3.294(5) 4_556 ?
O6 Cs3 3.404(6) 1_655 ?
O6 Cs1 3.474(5) 4_556 ?
O7 Cs1 3.044(4) 1_655 ?
O7 Cs2 3.148(4) 1_655 ?
O8 Cs3 3.628(5) 4_556 ?
O9 Bi1 2.229(4) 3_655 ?
O9 Cs2 3.174(5) 3_655 ?
O9 Cs3 3.804(5) 4_556 ?
O10 Cs3 3.176(6) 2_554 ?
O10 Cs1 3.440(6) 2_564 ?
O11 Pb1 2.444(4) 4 ?
O11 Cs1 3.277(5) 2_564 ?
O11 Cs3 3.453(5) 2_554 ?
O11 Cs1 3.581(5) 3_645 ?
O12 Pb1 2.456(4) 1_655 ?
O12 Cs3 3.114(4) 3_655 ?
O12 Cs2 3.541(5) 3_655 ?
O12 Cs1 3.662(5) 3_645 ?
O13 Cs1 3.193(4) 3_645 ?
O13 Cs3 3.242(5) 2_554 ?
O14 Cs2 3.038(4) 3_655 ?
O14 Cs1 3.128(4) 2_564 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Cs1 O14 119.30(10) 1_455 2_565 ?
O7 Cs1 O4 103.05(10) 1_455 4_456 ?
O14 Cs1 O4 91.01(10) 2_565 4_456 ?
O7 Cs1 O13 90.21(10) 1_455 3_655 ?
O14 Cs1 O13 130.00(10) 2_565 3_655 ?
O4 Cs1 O13 122.62(11) 4_456 3_655 ?
O7 Cs1 O6 46.55(10) 1_455 1_455 ?
O14 Cs1 O6 83.38(12) 2_565 1_455 ?
O4 Cs1 O6 75.04(12) 4_456 1_455 ?
O13 Cs1 O6 136.72(11) 3_655 1_455 ?
O7 Cs1 O11 102.41(12) 1_455 2_565 ?
O14 Cs1 O11 45.95(10) 2_565 2_565 ?
O4 Cs1 O11 136.81(10) 4_456 2_565 ?
O13 Cs1 O11 91.44(11) 3_655 2_565 ?
O6 Cs1 O11 98.92(14) 1_455 2_565 ?
O7 Cs1 O3 45.19(11) 1_455 1_455 ?
O14 Cs1 O3 101.83(11) 2_565 1_455 ?
O4 Cs1 O3 148.02(11) 4_456 1_455 ?
O13 Cs1 O3 69.86(12) 3_655 1_455 ?
O6 Cs1 O3 77.50(13) 1_455 1_455 ?
O11 Cs1 O3 63.65(11) 2_565 1_455 ?
O7 Cs1 O10 164.15(10) 1_455 2_565 ?
O14 Cs1 O10 44.86(9) 2_565 2_565 ?
O4 Cs1 O10 80.28(11) 4_456 2_565 ?
O13 Cs1 O10 101.09(11) 3_655 2_565 ?
O6 Cs1 O10 121.63(11) 1_455 2_565 ?
O11 Cs1 O10 66.58(12) 2_565 2_565 ?
O3 Cs1 O10 128.92(12) 1_455 2_565 ?
O7 Cs1 O6 84.04(12) 1_455 4_456 ?
O14 Cs1 O6 134.85(10) 2_565 4_456 ?
O4 Cs1 O6 44.32(10) 4_456 4_456 ?
O13 Cs1 O6 83.41(12) 3_655 4_456 ?
O6 Cs1 O6 89.173(15) 1_455 4_456 ?
O11 Cs1 O6 171.81(14) 2_565 4_456 ?
O3 Cs1 O6 119.89(11) 1_455 4_456 ?
O10 Cs1 O6 108.08(11) 2_565 4_456 ?
O7 Cs1 P2 104.30(8) 1_455 4_456 ?
O14 Cs1 P2 111.48(7) 2_565 4_456 ?
O4 Cs1 P2 25.78(7) 4_456 4_456 ?
O13 Cs1 P2 96.86(9) 3_655 4_456 ?
O6 Cs1 P2 93.25(11) 1_455 4_456 ?
O11 Cs1 P2 151.94(9) 2_565 4_456 ?
O3 Cs1 P2 144.19(8) 1_455 4_456 ?
O10 Cs1 P2 85.50(9) 2_565 4_456 ?
O6 Cs1 P2 24.45(7) 4_456 4_456 ?
O7 Cs1 P4 112.98(7) 1_455 3_655 ?
O14 Cs1 P4 106.59(7) 2_565 3_655 ?
O4 Cs1 P4 123.01(7) 4_456 3_655 ?
O13 Cs1 P4 25.25(8) 3_655 3_655 ?
O6 Cs1 P4 158.19(8) 1_455 3_655 ?
O11 Cs1 P4 76.37(9) 2_565 3_655 ?
O3 Cs1 P4 81.42(10) 1_455 3_655 ?
O10 Cs1 P4 76.54(8) 2_565 3_655 ?
O6 Cs1 P4 96.54(10) 4_456 3_655 ?
P2 Cs1 P4 100.65(3) 4_456 3_655 ?
O7 Cs1 O11 132.74(10) 1_455 3_655 ?
O14 Cs1 O11 100.41(11) 2_565 3_655 ?
O4 Cs1 O11 100.59(10) 4_456 3_655 ?
O13 Cs1 O11 42.82(10) 3_655 3_655 ?
O6 Cs1 O11 174.36(14) 1_455 3_655 ?
O11 Cs1 O11 86.706(14) 2_565 3_655 ?
O3 Cs1 O11 105.59(12) 1_455 3_655 ?
O10 Cs1 O11 60.25(11) 2_565 3_655 ?
O6 Cs1 O11 85.19(13) 4_456 3_655 ?
P2 Cs1 O11 81.49(8) 4_456 3_655 ?
P4 Cs1 O11 24.18(7) 3_655 3_655 ?
O14 Cs2 O2 175.20(10) 3_645 1_455 ?
O14 Cs2 O7 137.75(10) 3_645 1_455 ?
O2 Cs2 O7 45.86(10) 1_455 1_455 ?
O14 Cs2 O9 45.85(10) 3_645 3_645 ?
O2 Cs2 O9 130.59(11) 1_455 3_645 ?
O7 Cs2 O9 176.36(11) 1_455 3_645 ?
O14 Cs2 O8 94.20(9) 3_645 . ?
O2 Cs2 O8 83.28(10) 1_455 . ?
O7 Cs2 O8 126.37(10) 1_455 . ?
O9 Cs2 O8 50.05(10) 3_645 . ?
O14 Cs2 O6 83.83(12) 3_645 4_456 ?
O2 Cs2 O6 100.18(12) 1_455 4_456 ?
O7 Cs2 O6 85.52(11) 1_455 4_456 ?
O9 Cs2 O6 94.83(13) 3_645 4_456 ?
O8 Cs2 O6 88.94(12) . 4_456 ?
O14 Cs2 O5 96.19(12) 3_645 1_455 ?
O2 Cs2 O5 86.20(12) 1_455 1_455 ?
O7 Cs2 O5 44.13(11) 1_455 1_455 ?
O9 Cs2 O5 139.35(11) 3_645 1_455 ?
O8 Cs2 O5 169.39(12) . 1_455 ?
O6 Cs2 O5 94.34(16) 4_456 1_455 ?
O14 Cs2 O1 62.79(9) 3_645 3_645 ?
O2 Cs2 O1 114.72(10) 1_455 3_645 ?
O7 Cs2 O1 101.83(10) 1_455 3_645 ?
O9 Cs2 O1 80.34(10) 3_645 3_645 ?
O8 Cs2 O1 116.79(10) . 3_645 ?
O6 Cs2 O1 137.89(12) 4_456 3_645 ?
O5 Cs2 O1 66.66(12) 1_455 3_645 ?
O14 Cs2 O10 117.36(11) 3_645 . ?
O2 Cs2 O10 58.12(12) 1_455 . ?
O7 Cs2 O10 101.90(11) 1_455 . ?
O9 Cs2 O10 74.95(12) 3_645 . ?
O8 Cs2 O10 43.75(10) . . ?
O6 Cs2 O10 125.89(13) 4_456 . ?
O5 Cs2 O10 127.98(14) 1_455 . ?
O1 Cs2 O10 93.48(11) 3_645 . ?
O14 Cs2 O12 43.27(9) 3_645 3_645 ?
O2 Cs2 O12 139.26(10) 1_455 3_645 ?
O7 Cs2 O12 95.15(10) 1_455 3_645 ?
O9 Cs2 O12 88.49(10) 3_645 3_645 ?
O8 Cs2 O12 137.43(9) . 3_645 ?
O6 Cs2 O12 85.02(13) 4_456 3_645 ?
O5 Cs2 O12 53.06(12) 1_455 3_645 ?
O1 Cs2 O12 53.24(9) 3_645 3_645 ?
O10 Cs2 O12 145.34(11) . 3_645 ?
O14 Cs2 O3 100.90(11) 3_645 3_645 ?
O2 Cs2 O3 75.47(11) 1_455 3_645 ?
O7 Cs2 O3 86.21(12) 1_455 3_645 ?
O9 Cs2 O3 93.56(13) 3_645 3_645 ?
O8 Cs2 O3 97.76(11) . 3_645 ?
O6 Cs2 O3 171.43(13) 4_456 3_645 ?
O5 Cs2 O3 78.14(15) 1_455 3_645 ?
O1 Cs2 O3 42.47(10) 3_645 3_645 ?
O10 Cs2 O3 58.27(11) . 3_645 ?
O12 Cs2 O3 93.52(10) 3_645 3_645 ?
O14 Cs2 P3 24.34(7) 3_645 3_645 ?
O2 Cs2 P3 151.34(8) 1_455 3_645 ?
O7 Cs2 P3 160.41(8) 1_455 3_645 ?
O9 Cs2 P3 23.18(8) 3_645 3_645 ?
O8 Cs2 P3 73.22(7) . 3_645 ?
O6 Cs2 P3 95.65(9) 4_456 3_645 ?
O5 Cs2 P3 116.38(9) 1_455 3_645 ?
O1 Cs2 P3 64.53(6) 3_645 3_645 ?
O10 Cs2 P3 93.26(9) . 3_645 ?
O12 Cs2 P3 65.56(7) 3_645 3_645 ?
O3 Cs2 P3 91.41(9) 3_645 3_645 ?
O4 Cs3 O12 120.78(12) 4_456 3_645 ?
O4 Cs3 O10 130.73(11) 4_456 2 ?
O12 Cs3 O10 81.81(14) 3_645 2 ?
O4 Cs3 O13 135.24(10) 4_456 2 ?
O12 Cs3 O13 99.63(11) 3_645 2 ?
O10 Cs3 O13 69.14(10) 2 2 ?
O4 Cs3 O3 71.03(11) 4_456 4_456 ?
O12 Cs3 O3 95.22(11) 3_645 4_456 ?
O10 Cs3 O3 63.23(11) 2 4_456 ?
O13 Cs3 O3 127.11(11) 2 4_456 ?
O4 Cs3 O6 74.00(11) 4_456 1_455 ?
O12 Cs3 O6 96.38(11) 3_645 1_455 ?
O10 Cs3 O6 152.04(11) 2 1_455 ?
O13 Cs3 O6 83.82(11) 2 1_455 ?
O3 Cs3 O6 144.29(12) 4_456 1_455 ?
O4 Cs3 O11 161.77(11) 4_456 2 ?
O12 Cs3 O11 55.96(11) 3_645 2 ?
O10 Cs3 O11 67.49(12) 2 2 ?
O13 Cs3 O11 43.69(10) 2 2 ?
O3 Cs3 O11 125.76(12) 4_456 2 ?
O6 Cs3 O11 88.27(12) 1_455 2 ?
O4 Cs3 O5 101.59(11) 4_456 1_455 ?
O12 Cs3 O5 54.51(12) 3_645 1_455 ?
O10 Cs3 O5 125.24(12) 2 1_455 ?
O13 Cs3 O5 85.87(12) 2 1_455 ?
O3 Cs3 O5 140.90(14) 4_456 1_455 ?
O6 Cs3 O5 42.37(11) 1_455 1_455 ?
O11 Cs3 O5 61.24(12) 2 1_455 ?
O4 Cs3 O8 51.45(9) 4_456 4_456 ?
O12 Cs3 O8 172.23(11) 3_645 4_456 ?
O10 Cs3 O8 103.42(12) 2 4_456 ?
O13 Cs3 O8 87.68(9) 2 4_456 ?
O3 Cs3 O8 82.28(11) 4_456 4_456 ?
O6 Cs3 O8 81.71(10) 1_455 4_456 ?
O11 Cs3 O8 131.24(9) 2 4_456 ?
O5 Cs3 O8 124.07(11) 1_455 4_456 ?
O4 Cs3 O9 89.01(9) 4_456 4_456 ?
O12 Cs3 O9 148.92(12) 3_645 4_456 ?
O10 Cs3 O9 70.95(11) 2 4_456 ?
O13 Cs3 O9 57.18(10) 2 4_456 ?
O3 Cs3 O9 85.86(12) 4_456 4_456 ?
O6 Cs3 O9 100.70(11) 1_455 4_456 ?
O11 Cs3 O9 98.63(9) 2 4_456 ?
O5 Cs3 O9 133.09(12) 1_455 4_456 ?
O8 Cs3 O9 38.52(9) 4_456 4_456 ?
O4 Cs3 P4 157.83(8) 4_456 2 ?
O12 Cs3 P4 77.71(9) 3_645 2 ?
O10 Cs3 P4 59.33(8) 2 2 ?
O13 Cs3 P4 22.95(7) 2 2 ?
O3 Cs3 P4 122.57(9) 4_456 2 ?
O6 Cs3 P4 92.92(9) 1_455 2 ?
O11 Cs3 P4 22.95(7) 2 2 ?
O5 Cs3 P4 78.61(9) 1_455 2 ?
O8 Cs3 P4 109.85(6) 4_456 2 ?
O9 Cs3 P4 75.68(6) 4_456 2 ?
O4 Cs3 P2 21.35(7) 4_456 4_456 ?
O12 Cs3 P2 101.67(9) 3_645 4_456 ?
O10 Cs3 P2 123.52(8) 2 4_456 ?
O13 Cs3 P2 156.59(7) 2 4_456 ?
O3 Cs3 P2 60.30(9) 4_456 4_456 ?
O6 Cs3 P2 84.28(9) 1_455 4_456 ?
O11 Cs3 P2 155.49(7) 2 4_456 ?
O5 Cs3 P2 98.67(9) 1_455 4_456 ?
O8 Cs3 P2 70.68(6) 4_456 4_456 ?
O9 Cs3 P2 105.69(6) 4_456 4_456 ?
P4 Cs3 P2 177.05(3) 2 4_456 ?
O8 Bi1 O9 76.17(17) . 3_645 ?
O8 Bi1 O4 81.46(14) . . ?
O9 Bi1 O4 89.53(16) 3_645 . ?
O8 Bi1 O13 81.33(14) . . ?
O9 Bi1 O13 96.78(18) 3_645 . ?
O4 Bi1 O13 159.67(14) . . ?
O8 Bi1 O1 85.82(16) . . ?
O9 Bi1 O1 160.05(16) 3_645 . ?
O4 Bi1 O1 79.22(13) . . ?
O13 Bi1 O1 88.80(14) . . ?
O8 Bi1 O2 155.68(16) . 3_745 ?
O9 Bi1 O2 87.38(15) 3_645 3_745 ?
O4 Bi1 O2 116.69(13) . 3_745 ?
O13 Bi1 O2 83.00(13) . 3_745 ?
O1 Bi1 O2 112.37(14) . 3_745 ?
O8 Bi1 Cs3 67.72(12) . 2_554 ?
O9 Bi1 Cs3 55.64(14) 3_645 2_554 ?
O4 Bi1 Cs3 137.28(9) . 2_554 ?
O13 Bi1 Cs3 41.67(11) . 2_554 ?
O1 Bi1 Cs3 124.85(9) . 2_554 ?
O2 Bi1 Cs3 88.25(9) 3_745 2_554 ?
O8 Bi1 Cs2 40.53(11) . . ?
O9 Bi1 Cs2 37.99(12) 3_645 . ?
O4 Bi1 Cs2 74.15(9) . . ?
O13 Bi1 Cs2 99.20(11) . . ?
O1 Bi1 Cs2 122.23(11) . . ?
O2 Bi1 Cs2 125.37(9) 3_745 . ?
Cs3 Bi1 Cs2 63.165(8) 2_554 . ?
O8 Bi1 Cs3 49.99(12) . 4_556 ?
O9 Bi1 Cs3 96.23(12) 3_645 4_556 ?
O4 Bi1 Cs3 35.75(10) . 4_556 ?
O13 Bi1 Cs3 124.03(10) . 4_556 ?
O1 Bi1 Cs3 65.12(10) . 4_556 ?
O2 Bi1 Cs3 151.78(9) 3_745 4_556 ?
Cs3 Bi1 Cs3 116.849(7) 2_554 4_556 ?
Cs2 Bi1 Cs3 63.329(8) . 4_556 ?
O8 Bi1 Cs1 90.62(10) . 4_556 ?
O9 Bi1 Cs1 55.55(14) 3_645 4_556 ?
O4 Bi1 Cs1 38.43(10) . 4_556 ?
O13 Bi1 Cs1 152.32(11) . 4_556 ?
O1 Bi1 Cs1 117.14(9) . 4_556 ?
O2 Bi1 Cs1 94.73(9) 3_745 4_556 ?
Cs3 Bi1 Cs1 110.859(7) 2_554 4_556 ?
Cs2 Bi1 Cs1 59.795(7) . 4_556 ?
Cs3 Bi1 Cs1 65.407(7) 4_556 4_556 ?
O11 Pb1 O12 78.36(15) 4_455 1_455 ?
O11 Pb1 O5 93.7(2) 4_455 3_655 ?
O12 Pb1 O5 77.80(19) 1_455 3_655 ?
O11 Pb1 O3 86.83(18) 4_455 3_645 ?
O12 Pb1 O3 105.43(17) 1_455 3_645 ?
O5 Pb1 O3 176.8(2) 3_655 3_645 ?
O11 Pb1 O10 85.78(15) 4_455 . ?
O12 Pb1 O10 163.23(14) 1_455 . ?
O5 Pb1 O10 98.05(18) 3_655 . ?
O3 Pb1 O10 78.81(17) 3_645 . ?
O11 Pb1 O1 149.82(13) 4_455 1_455 ?
O12 Pb1 O1 73.94(12) 1_455 1_455 ?
O5 Pb1 O1 91.95(19) 3_655 1_455 ?
O3 Pb1 O1 89.16(15) 3_645 1_455 ?
O10 Pb1 O1 122.68(12) . 1_455 ?
O11 Pb1 Cs1 51.29(12) 4_455 3_545 ?
O12 Pb1 Cs1 60.29(12) 1_455 3_545 ?
O5 Pb1 Cs1 128.13(17) 3_655 3_545 ?
O3 Pb1 Cs1 54.41(12) 3_645 3_545 ?
O10 Pb1 Cs1 113.17(11) . 3_545 ?
O1 Pb1 Cs1 103.26(8) 1_455 3_545 ?
O11 Pb1 Cs1 57.29(11) 4_455 2_564 ?
O12 Pb1 Cs1 111.69(10) 1_455 2_564 ?
O5 Pb1 Cs1 58.78(15) 3_655 2_564 ?
O3 Pb1 Cs1 119.19(12) 3_645 2_564 ?
O10 Pb1 Cs1 53.85(11) . 2_564 ?
O1 Pb1 Cs1 146.11(9) 1_455 2_564 ?
Cs1 Pb1 Cs1 108.323(6) 3_545 2_564 ?
O11 Pb1 Cs2 125.90(13) 4_455 . ?
O12 Pb1 Cs2 141.59(10) 1_455 . ?
O5 Pb1 Cs2 123.11(17) 3_655 . ?
O3 Pb1 Cs2 54.39(12) 3_645 . ?
O10 Pb1 Cs2 53.89(11) . . ?
O1 Pb1 Cs2 73.57(8) 1_455 . ?
Cs1 Pb1 Cs2 108.755(8) 3_545 . ?
Cs1 Pb1 Cs2 106.691(8) 2_564 . ?
O11 Pb1 Cs3 51.77(13) 4_455 3 ?
O12 Pb1 Cs3 43.78(10) 1_455 3 ?
O5 Pb1 Cs3 54.50(17) 3_655 3 ?
O3 Pb1 Cs3 127.78(12) 3_645 3 ?
O10 Pb1 Cs3 120.84(11) . 3 ?
O1 Pb1 Cs3 110.73(8) 1_455 3 ?
Cs1 Pb1 Cs3 73.826(8) 3_545 3 ?
Cs1 Pb1 Cs3 67.924(7) 2_564 3 ?
Cs2 Pb1 Cs3 174.613(8) . 3 ?
O11 Pb1 Cs2 117.86(13) 4_455 3 ?
O12 Pb1 Cs2 51.44(12) 1_455 3 ?
O5 Pb1 Cs2 47.26(14) 3_655 3 ?
O3 Pb1 Cs2 134.99(12) 3_645 3 ?
O10 Pb1 Cs2 135.62(12) . 3 ?
O1 Pb1 Cs2 50.07(9) 1_455 3 ?
Cs1 Pb1 Cs2 110.721(8) 3_545 3 ?
Cs1 Pb1 Cs2 105.757(8) 2_564 3 ?
Cs2 Pb1 Cs2 116.233(6) . 3 ?
Cs3 Pb1 Cs2 66.259(8) 3 3 ?
O11 Pb1 Cs3 60.36(12) 4_455 2_554 ?
O12 Pb1 Cs3 128.62(12) 1_455 2_554 ?
O5 Pb1 Cs3 130.20(14) 3_655 2_554 ?
O3 Pb1 Cs3 47.60(12) 3_645 2_554 ?
O10 Pb1 Cs3 43.38(12) . 2_554 ?
O1 Pb1 Cs3 132.53(9) 1_455 2_554 ?
Cs1 Pb1 Cs3 69.958(7) 3_545 2_554 ?
Cs1 Pb1 Cs3 71.621(7) 2_564 2_554 ?
Cs2 Pb1 Cs3 65.555(8) . 2_554 ?
Cs3 Pb1 Cs3 111.779(6) 3 2_554 ?
Cs2 Pb1 Cs3 177.308(8) 3 2_554 ?
O3 P1 O2 115.2(3) . . ?
O3 P1 O1 114.2(3) . . ?
O2 P1 O1 109.1(2) . . ?
O3 P1 O7 107.7(3) . . ?
O2 P1 O7 102.8(2) . . ?
O1 P1 O7 106.9(2) . . ?
O3 P1 Cs1 66.9(2) . 1_655 ?
O2 P1 Cs1 90.19(17) . 1_655 ?
O1 P1 Cs1 156.10(16) . 1_655 ?
O7 P1 Cs1 53.43(17) . 1_655 ?
O3 P1 Cs2 141.9(2) . 1_655 ?
O2 P1 Cs2 52.60(17) . 1_655 ?
O1 P1 Cs2 103.61(18) . 1_655 ?
O7 P1 Cs2 53.72(16) . 1_655 ?
Cs1 P1 Cs2 76.57(3) 1_655 1_655 ?
O3 P1 Cs2 62.7(2) . 3_655 ?
O2 P1 Cs2 106.23(17) . 3_655 ?
O1 P1 Cs2 59.71(17) . 3_655 ?
O7 P1 Cs2 150.75(15) . 3_655 ?
Cs1 P1 Cs2 129.39(4) 1_655 3_655 ?
Cs2 P1 Cs2 149.89(4) 1_655 3_655 ?
O3 P1 Cs3 51.0(2) . 4_556 ?
O2 P1 Cs3 165.33(18) . 4_556 ?
O1 P1 Cs3 83.58(16) . 4_556 ?
O7 P1 Cs3 79.65(16) . 4_556 ?
Cs1 P1 Cs3 79.59(3) 1_655 4_556 ?
Cs2 P1 Cs3 133.10(4) 1_655 4_556 ?
Cs2 P1 Cs3 73.27(2) 3_655 4_556 ?
O6 P2 O5 115.8(4) . . ?
O6 P2 O4 113.7(3) . . ?
O5 P2 O4 109.4(3) . . ?
O6 P2 O7 106.6(3) . . ?
O5 P2 O7 103.7(3) . . ?
O4 P2 O7 106.7(2) . . ?
O6 P2 Cs1 76.1(2) . 4_556 ?
O5 P2 Cs1 82.8(2) . 4_556 ?
O4 P2 Cs1 64.18(15) . 4_556 ?
O7 P2 Cs1 170.49(16) . 4_556 ?
O6 P2 Cs1 56.4(2) . 1_655 ?
O5 P2 Cs1 122.1(2) . 1_655 ?
O4 P2 Cs1 126.59(17) . 1_655 ?
O7 P2 Cs1 50.28(16) . 1_655 ?
Cs1 P2 Cs1 132.00(4) 4_556 1_655 ?
O6 P2 Cs3 80.4(2) . 4_556 ?
O5 P2 Cs3 156.1(3) . 4_556 ?
O4 P2 Cs3 46.74(16) . 4_556 ?
O7 P2 Cs3 86.79(17) . 4_556 ?
Cs1 P2 Cs3 84.71(3) 4_556 4_556 ?
Cs1 P2 Cs3 81.19(3) 1_655 4_556 ?
O6 P2 Cs2 112.8(2) . 1_655 ?
O5 P2 Cs2 56.4(2) . 1_655 ?
O4 P2 Cs2 132.48(15) . 1_655 ?
O7 P2 Cs2 49.43(17) . 1_655 ?
Cs1 P2 Cs2 138.45(4) 4_556 1_655 ?
Cs1 P2 Cs2 73.97(2) 1_655 1_655 ?
Cs3 P2 Cs2 135.97(4) 4_556 1_655 ?
O6 P2 Cs3 55.1(2) . 1_655 ?
O5 P2 Cs3 61.7(3) . 1_655 ?
O4 P2 Cs3 143.35(16) . 1_655 ?
O7 P2 Cs3 109.94(15) . 1_655 ?
Cs1 P2 Cs3 79.21(3) 4_556 1_655 ?
Cs1 P2 Cs3 79.28(2) 1_655 1_655 ?
Cs3 P2 Cs3 135.11(3) 4_556 1_655 ?
Cs2 P2 Cs3 75.04(2) 1_655 1_655 ?
O10 P3 O8 115.8(3) . . ?
O10 P3 O9 114.2(3) . . ?
O8 P3 O9 108.4(3) . . ?
O10 P3 O14 109.0(2) . . ?
O8 P3 O14 106.6(2) . . ?
O9 P3 O14 101.6(2) . . ?
O10 P3 Cs1 68.3(2) . 2_564 ?
O8 P3 Cs1 162.00(15) . 2_564 ?
O9 P3 Cs1 83.7(2) . 2_564 ?
O14 P3 Cs1 56.94(14) . 2_564 ?
O10 P3 Cs2 144.2(2) . 3_655 ?
O8 P3 Cs2 99.44(19) . 3_655 ?
O9 P3 Cs2 55.47(18) . 3_655 ?
O14 P3 Cs2 51.13(14) . 3_655 ?
Cs1 P3 Cs2 76.18(3) 2_564 3_655 ?
O10 P3 Cs2 67.6(2) . . ?
O8 P3 Cs2 58.23(16) . . ?
O9 P3 Cs2 101.93(18) . . ?
O14 P3 Cs2 155.21(14) . . ?
Cs1 P3 Cs2 133.69(4) 2_564 . ?
Cs2 P3 Cs2 143.98(4) 3_655 . ?
O10 P3 Cs3 45.4(2) . 2_554 ?
O8 P3 Cs3 88.22(19) . 2_554 ?
O9 P3 Cs3 159.1(2) . 2_554 ?
O14 P3 Cs3 84.90(14) . 2_554 ?
Cs1 P3 Cs3 83.37(3) 2_564 2_554 ?
Cs2 P3 Cs3 135.83(3) 3_655 2_554 ?
Cs2 P3 Cs3 75.73(3) . 2_554 ?
O12 P4 O11 114.7(3) . . ?
O12 P4 O13 113.0(3) . . ?
O11 P4 O13 111.8(3) . . ?
O12 P4 O14 104.5(2) . . ?
O11 P4 O14 106.4(2) . . ?
O13 P4 O14 105.5(2) . . ?
O12 P4 Cs1 81.7(2) . 3_645 ?
O11 P4 Cs1 78.5(2) . 3_645 ?
O13 P4 Cs1 63.54(15) . 3_645 ?
O14 P4 Cs1 169.01(14) . 3_645 ?
O12 P4 Cs3 162.8(2) . 2_554 ?
O11 P4 Cs3 64.1(2) . 2_554 ?
O13 P4 Cs3 56.16(18) . 2_554 ?
O14 P4 Cs3 91.88(14) . 2_554 ?
Cs1 P4 Cs3 81.32(3) 3_645 2_554 ?
O12 P4 Cs1 109.84(19) . 2_564 ?
O11 P4 Cs1 56.7(2) . 2_564 ?
O13 P4 Cs1 135.75(18) . 2_564 ?
O14 P4 Cs1 52.16(14) . 2_564 ?
Cs1 P4 Cs1 134.77(4) 3_645 2_564 ?
Cs3 P4 Cs1 84.25(3) 2_554 2_564 ?
O12 P4 Cs2 61.18(19) . 3_655 ?
O11 P4 Cs2 123.7(2) . 3_655 ?
O13 P4 Cs2 121.04(17) . 3_655 ?
O14 P4 Cs2 43.31(13) . 3_655 ?
Cs1 P4 Cs2 141.76(4) 3_645 3_655 ?
Cs3 P4 Cs2 134.93(3) 2_554 3_655 ?
Cs1 P4 Cs2 71.83(2) 2_564 3_655 ?
O12 P4 Cs3 41.52(17) . 3_655 ?
O11 P4 Cs3 75.0(2) . 3_655 ?
O13 P4 Cs3 143.98(17) . 3_655 ?
O14 P4 Cs3 106.10(14) . 3_655 ?
Cs1 P4 Cs3 84.60(3) 3_645 3_655 ?
Cs3 P4 Cs3 138.57(3) 2_554 3_655 ?
Cs1 P4 Cs3 78.58(3) 2_564 3_655 ?
Cs2 P4 Cs3 73.91(3) 3_655 3_655 ?
P1 O1 Bi1 128.7(2) . . ?
P1 O1 Pb1 98.76(18) . 1_655 ?
Bi1 O1 Pb1 108.98(16) . 1_655 ?
P1 O1 Cs2 97.7(2) . 3_655 ?
Bi1 O1 Cs2 122.41(14) . 3_655 ?
Pb1 O1 Cs2 92.42(10) 1_655 3_655 ?
P1 O2 Bi1 126.1(3) . 3_755 ?
P1 O2 Cs2 104.9(2) . 1_655 ?
Bi1 O2 Cs2 122.05(14) 3_755 1_655 ?
P1 O3 Pb1 154.5(3) . 3_655 ?
P1 O3 Cs3 109.0(3) . 4_556 ?
Pb1 O3 Cs3 96.36(14) 3_655 4_556 ?
P1 O3 Cs1 89.5(2) . 1_655 ?
Pb1 O3 Cs1 85.79(14) 3_655 1_655 ?
Cs3 O3 Cs1 95.17(14) 4_556 1_655 ?
P1 O3 Cs2 95.4(2) . 3_655 ?
Pb1 O3 Cs2 87.48(14) 3_655 3_655 ?
Cs3 O3 Cs2 88.27(13) 4_556 3_655 ?
Cs1 O3 Cs2 172.75(17) 1_655 3_655 ?
P2 O4 Bi1 112.0(2) . . ?
P2 O4 Cs3 111.9(2) . 4_556 ?
Bi1 O4 Cs3 117.98(14) . 4_556 ?
P2 O4 Cs1 90.04(17) . 4_556 ?
Bi1 O4 Cs1 114.49(15) . 4_556 ?
Cs3 O4 Cs1 106.96(11) 4_556 4_556 ?
P2 O5 Pb1 156.7(4) . 3_645 ?
P2 O5 Cs2 101.8(3) . 1_655 ?
Pb1 O5 Cs2 100.24(18) 3_645 1_655 ?
P2 O5 Cs3 96.6(3) . 1_655 ?
Pb1 O5 Cs3 91.37(19) 3_645 1_655 ?
Cs2 O5 Cs3 88.96(15) 1_655 1_655 ?
P2 O5 Cs1 73.2(2) . 4_556 ?
Pb1 O5 Cs1 85.97(16) 3_645 4_556 ?
Cs2 O5 Cs1 170.7(2) 1_655 4_556 ?
Cs3 O5 Cs1 83.95(16) 1_655 4_556 ?
P2 O6 Cs1 101.2(2) . 1_655 ?
P2 O6 Cs2 158.2(3) . 4_556 ?
Cs1 O6 Cs2 89.86(12) 1_655 4_556 ?
P2 O6 Cs3 104.0(3) . 1_655 ?
Cs1 O6 Cs3 97.76(13) 1_655 1_655 ?
Cs2 O6 Cs3 92.85(12) 4_556 1_655 ?
P2 O6 Cs1 79.4(2) . 4_556 ?
Cs1 O6 Cs1 172.7(2) 1_655 4_556 ?
Cs2 O6 Cs1 87.27(11) 4_556 4_556 ?
Cs3 O6 Cs1 89.09(14) 1_655 4_556 ?
P1 O7 P2 136.5(3) . . ?
P1 O7 Cs1 101.3(2) . 1_655 ?
P2 O7 Cs1 105.55(19) . 1_655 ?
P1 O7 Cs2 101.78(18) . 1_655 ?
P2 O7 Cs2 107.5(2) . 1_655 ?
Cs1 O7 Cs2 97.96(11) 1_655 1_655 ?
P3 O8 Bi1 133.8(2) . . ?
P3 O8 Cs2 98.66(18) . . ?
Bi1 O8 Cs2 113.64(15) . . ?
P3 O8 Cs3 110.5(2) . 4_556 ?
Bi1 O8 Cs3 102.38(14) . 4_556 ?
Cs2 O8 Cs3 89.17(9) . 4_556 ?
P3 O9 Bi1 138.9(3) . 3_655 ?
P3 O9 Cs2 101.4(2) . 3_655 ?
Bi1 O9 Cs2 116.39(17) 3_655 3_655 ?
P3 O9 Cs3 102.6(2) . 4_556 ?
Bi1 O9 Cs3 95.42(15) 3_655 4_556 ?
Cs2 O9 Cs3 86.92(12) 3_655 4_556 ?
P3 O10 Pb1 144.3(3) . . ?
P3 O10 Cs3 115.1(3) . 2_554 ?
Pb1 O10 Cs3 100.46(14) . 2_554 ?
P3 O10 Cs1 88.0(2) . 2_564 ?
Pb1 O10 Cs1 86.34(14) . 2_564 ?
Cs3 O10 Cs1 102.26(13) 2_554 2_564 ?
P3 O10 Cs2 89.4(2) . . ?
Pb1 O10 Cs2 87.37(12) . . ?
Cs3 O10 Cs2 91.95(15) 2_554 . ?
Cs1 O10 Cs2 165.29(18) 2_564 . ?
P4 O11 Pb1 162.9(3) . 4 ?
P4 O11 Cs1 100.8(2) . 2_564 ?
Pb1 O11 Cs1 93.12(13) 4 2_564 ?
P4 O11 Cs3 92.9(2) . 2_554 ?
Pb1 O11 Cs3 94.45(15) 4 2_554 ?
Cs1 O11 Cs3 99.89(12) 2_564 2_554 ?
P4 O11 Cs1 77.36(19) . 3_645 ?
Pb1 O11 Cs1 87.65(14) 4 3_645 ?
Cs1 O11 Cs1 173.37(18) 2_564 3_645 ?
Cs3 O11 Cs1 86.60(12) 2_554 3_645 ?
P4 O12 Pb1 133.9(3) . 1_655 ?
P4 O12 Cs3 119.9(2) . 3_655 ?
Pb1 O12 Cs3 103.14(13) 1_655 3_655 ?
P4 O12 Cs2 97.1(2) . 3_655 ?
Pb1 O12 Cs2 95.71(14) 1_655 3_655 ?
Cs3 O12 Cs2 93.57(13) 3_655 3_655 ?
P4 O12 Cs1 74.5(2) . 3_645 ?
Pb1 O12 Cs1 84.08(13) 1_655 3_645 ?
Cs3 O12 Cs1 98.70(11) 3_655 3_645 ?
Cs2 O12 Cs1 167.46(13) 3_655 3_645 ?
P4 O13 Bi1 125.4(2) . . ?
P4 O13 Cs1 91.20(17) . 3_645 ?
Bi1 O13 Cs1 126.64(16) . 3_645 ?
P4 O13 Cs3 100.9(2) . 2_554 ?
Bi1 O13 Cs3 109.82(15) . 2_554 ?
Cs1 O13 Cs3 97.14(12) 3_645 2_554 ?
P3 O14 P4 131.8(2) . . ?
P3 O14 Cs2 104.53(17) . 3_655 ?
P4 O14 Cs2 115.11(17) . 3_655 ?
P3 O14 Cs1 97.53(16) . 2_564 ?
P4 O14 Cs1 103.56(17) . 2_564 ?
Cs2 O14 Cs1 96.85(10) 3_655 2_564 ?

